1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

C12H15N3O2 — CID 84627468

IUPAC1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESCc1cccc2c1NC(=O)CCN2C(=O)CN
InChIInChI=1S/C12H15N3O2/c1-8-3-2-4-9-12(8)14-10(16)5-6-15(9)11(17)7-13/h2-4H,5-7,13H2,1H3,(H,14,16)
InChIKeyKGSLRIPJDUKGQB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.63
Rot. Bonds1

About 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one (PubChem CID 84627468) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
PubChem CID84627468
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESCc1cccc2c1NC(=O)CCN2C(=O)CN
InChIInChI=1S/C12H15N3O2/c1-8-3-2-4-9-12(8)14-10(16)5-6-15(9)11(17)7-13/h2-4H,5-7,13H2,1H3,(H,14,16)
InChIKeyKGSLRIPJDUKGQB-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627467
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84627538
5-(2-chloroacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 4185483
1-(2-aminoacetyl)-6-ethyl-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84638608
5-(3-chloropropanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 4012967
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
5-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 136528692
1-(6-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)ethanone
CID 82396564
2-(6-fluoro-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)acetic acid
CID 84629084

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The IUPAC name of 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one (CID 84627468) is 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one is Cc1cccc2c1NC(=O)CCN2C(=O)CN.
What is the InChIKey of 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The InChIKey is KGSLRIPJDUKGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-3-2-4-9-12(8)14-10(16)5-6-15(9)11(17)7-13/h2-4H,5-7,13H2,1H3,(H,14,16).
What are the key properties of 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 84627468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).