9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C12H12N2O2 — CID 170859610

IUPAC9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESC=Cc1c(C)ccc2c1NC(=O)CNC2=O
InChIInChI=1S/C12H12N2O2/c1-3-8-7(2)4-5-9-11(8)14-10(15)6-13-12(9)16/h3-5H,1,6H2,2H3,(H,13,16)(H,14,15)
InChIKeyFIYDRNDTLPNQBB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.32
Rot. Bonds1

About 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 170859610) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID170859610
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESC=Cc1c(C)ccc2c1NC(=O)CNC2=O
InChIInChI=1S/C12H12N2O2/c1-3-8-7(2)4-5-9-11(8)14-10(15)6-13-12(9)16/h3-5H,1,6H2,2H3,(H,13,16)(H,14,15)
InChIKeyFIYDRNDTLPNQBB-UHFFFAOYSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CID 3725575
Cyclopeptine
CID 179574
Dehydrocyclopeptine
CID 15649436
3,4-Dihydro-7-fluoro-4-methyl-1H-1,4-benzodiazepine-2,5-dione
CID 658990
(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 1502067
2-(2,8-dimethyl-4-oxoquinolin-1(4H)-yl)-N-methylacetamide
CID 931019
N-(2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)benzamide
CID 2104065
1-(4-[N-(2-Dimethylamino-2-oxoethylcarbamoyl)aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 6918573
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-(ethylamino)-5-(trifluoromethyl)benzamide
CID 10187492
2-[4-[[(3R)-3-[(3-amino-3-methylbutanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]benzamide
CID 15234114
1-(4-[N-(2-Amino-2-oxoethylcarbamoyl)aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 18759802

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 170859610) is 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is C=Cc1c(C)ccc2c1NC(=O)CNC2=O.
What is the InChIKey of 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is FIYDRNDTLPNQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-8-7(2)4-5-9-11(8)14-10(15)6-13-12(9)16/h3-5H,1,6H2,2H3,(H,13,16)(H,14,15).
What are the key properties of 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 216.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-8-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 170859610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).