2-(9H-1,2-benzodiazepin-8-yl)acetamide

C11H11N3O — CID 139892877

IUPAC2-(9H-1,2-benzodiazepin-8-yl)acetamide
SMILESNC(=O)CC1=CC=C2C=CC=NN=C2C1
InChIInChI=1S/C11H11N3O/c12-11(15)7-8-3-4-9-2-1-5-13-14-10(9)6-8/h1-5H,6-7H2,(H2,12,15)
InChIKeyKICDAGLFKPMYMH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.11
Rot. Bonds2

About 2-(9H-1,2-benzodiazepin-8-yl)acetamide

2-(9H-1,2-benzodiazepin-8-yl)acetamide (PubChem CID 139892877) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(9H-1,2-benzodiazepin-8-yl)acetamide.

Molecular Properties

Compound Name2-(9H-1,2-benzodiazepin-8-yl)acetamide
PubChem CID139892877
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(9H-1,2-benzodiazepin-8-yl)acetamide
SMILESNC(=O)CC1=CC=C2C=CC=NN=C2C1
InChIInChI=1S/C11H11N3O/c12-11(15)7-8-3-4-9-2-1-5-13-14-10(9)6-8/h1-5H,6-7H2,(H2,12,15)
InChIKeyKICDAGLFKPMYMH-UHFFFAOYSA-N
XLogP1.11
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(9H-1,2-benzodiazepin-8-yl)acetamide 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

9H-1,2-benzodiazepine-8-carboxamide
CID 70280937
4-Cyclohexa-1,3-dien-1-yl-4-iminobutanamide
CID 90949307
2-(9H-1,2-benzodiazepin-8-yl)acetamide;hydrochloride
CID 139892878
9H-1,2-benzodiazepine-8-carboxamide;hydrochloride
CID 145851706
4H-pyrido[3,4-c]azepine-3-carboxamide
CID 177701824

Frequently Asked Questions

What is the IUPAC name of 2-(9H-1,2-benzodiazepin-8-yl)acetamide?
The IUPAC name of 2-(9H-1,2-benzodiazepin-8-yl)acetamide (CID 139892877) is 2-(9H-1,2-benzodiazepin-8-yl)acetamide.
What is the SMILES notation for 2-(9H-1,2-benzodiazepin-8-yl)acetamide?
The canonical SMILES for 2-(9H-1,2-benzodiazepin-8-yl)acetamide is NC(=O)CC1=CC=C2C=CC=NN=C2C1.
What is the InChIKey of 2-(9H-1,2-benzodiazepin-8-yl)acetamide?
The InChIKey is KICDAGLFKPMYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)7-8-3-4-9-2-1-5-13-14-10(9)6-8/h1-5H,6-7H2,(H2,12,15).
What are the key properties of 2-(9H-1,2-benzodiazepin-8-yl)acetamide?
2-(9H-1,2-benzodiazepin-8-yl)acetamide has a molecular weight of 201.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-1,2-benzodiazepin-8-yl)acetamide is sourced from PubChem (CID 139892877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).