3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)PENT-4-EN-1-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H29NO
Molecular Weight	311.4611
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)PENT-4-EN-1-ONE

Structure Search

SMILES

CCCCCN1C=C(C(=O)CC(C)(C)C(C)=C)C2=C1C=CC=C2

InChI

InChIKey=NBJHWTCAQOYUND-UHFFFAOYSA-N

InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3

HIDE SMILES / InChI

Molecular Formula	C21H29NO
Molecular Weight	311.4611
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 `Wed Apr 02 12:02:29 GMT 2025` Edited by `admin` on `Wed Apr 02 12:02:29 GMT 2025`
Record UNII	L26S4AX8CG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KM-X1 DEGRADANT

Preferred Name

English

3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)PENT-4-EN-1-ONE

Systematic Name

English

UR-144 DEGRADANT

Common Name

English

4-PENTEN-1-ONE, 3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)-

Systematic Name

English

3,3,4-TRIMETHYL-1-(1-PENTYL-1H-INDOL-3-YL)-4-PENTEN-1-ONE

Systematic Name

English

UR-144 3,3,4-TRIMETHYLPENTENOYL ISOMER

Common Name

English

Code System Code Type Description

FDA UNII

L26S4AX8CG

Created by admin on Wed Apr 02 12:02:29 GMT 2025 , Edited by admin on Wed Apr 02 12:02:29 GMT 2025

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EPA CompTox

DTXSID101043141

Created by admin on Wed Apr 02 12:02:29 GMT 2025 , Edited by admin on Wed Apr 02 12:02:29 GMT 2025

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CAS

1609273-88-2

Created by admin on Wed Apr 02 12:02:29 GMT 2025 , Edited by admin on Wed Apr 02 12:02:29 GMT 2025

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PUBCHEM

124518655

Created by admin on Wed Apr 02 12:02:29 GMT 2025 , Edited by admin on Wed Apr 02 12:02:29 GMT 2025

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