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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N4O2
Molecular Weight 234.2545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 8-Prop-1-enylcaffeine

SMILES

C\C=C\C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=NLJFVWINVFJJCG-AATRIKPKSA-N
InChI=1S/C11H14N4O2/c1-5-6-7-12-9-8(13(7)2)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+

HIDE SMILES / InChI

Molecular Formula C11H14N4O2
Molecular Weight 234.2545
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:44:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:15 GMT 2023
Record UNII
2RM5CF2N22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-Prop-1-enylcaffeine
Systematic Name English
Caffeine, 8-(prop-1-enyl)-
Systematic Name English
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propen-1-yl)-
Systematic Name English
3,7-Dihydro-1,3,7-trimethyl-8-(1-propen-1-yl)-1H-purine-2,6-dione
Systematic Name English
NSC-101819
Code English
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5380637
Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023
PRIMARY
CAS
73747-39-4
Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023
PRIMARY
NSC
101819
Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023
PRIMARY
FDA UNII
2RM5CF2N22
Created by admin on Sat Dec 16 12:44:15 GMT 2023 , Edited by admin on Sat Dec 16 12:44:15 GMT 2023
PRIMARY