1-(1H-Indol-3-yl)-1-butanone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13NO
Molecular Weight	187.2377
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(1H-Indol-3-yl)-1-butanone

Structure Search

SMILES

CCCC(=O)C1=CNC2=C1C=CC=C2

InChI

InChIKey=CPSCIKJSJRJTMF-UHFFFAOYSA-N

InChI=1S/C12H13NO/c1-2-5-12(14)10-8-13-11-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H13NO
Molecular Weight	187.2377
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:16:18 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:18 GMT 2025`
Record UNII	W6M6F477VM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(1H-Indol-3-yl)-1-butanone

Systematic Name

English

1-(1H-Indol-3-yl)butan-1-one

Preferred Name

English

1-Butanone, 1-(1H-indol-3-yl)-

Systematic Name

English

NSC-82297

Code

English

Code System Code Type Description

NSC

82297

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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ECHA (EC/EINECS)

245-103-3

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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CAS

22582-67-8

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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FDA UNII

W6M6F477VM

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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PUBCHEM

89760

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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EPA CompTox

DTXSID60177106

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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