2-(3H-azepin-6-yl)acetamide

C8H10N2O — CID 57038876

IUPAC2-(3H-azepin-6-yl)acetamide
SMILESNC(=O)CC1=CN=CCC=C1
InChIInChI=1S/C8H10N2O/c9-8(11)5-7-3-1-2-4-10-6-7/h1,3-4,6H,2,5H2,(H2,9,11)
InChIKeyAJAVLONEGUDESL-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.78
Rot. Bonds2

About 2-(3H-azepin-6-yl)acetamide

2-(3H-azepin-6-yl)acetamide (PubChem CID 57038876) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(3H-azepin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3H-azepin-6-yl)acetamide
PubChem CID57038876
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(3H-azepin-6-yl)acetamide
SMILESNC(=O)CC1=CN=CCC=C1
InChIInChI=1S/C8H10N2O/c9-8(11)5-7-3-1-2-4-10-6-7/h1,3-4,6H,2,5H2,(H2,9,11)
InChIKeyAJAVLONEGUDESL-UHFFFAOYSA-N
XLogP0.78
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3H-azepin-6-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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-azepin-6-yl)acetamide?
The IUPAC name of 2-(3H-azepin-6-yl)acetamide (CID 57038876) is 2-(3H-azepin-6-yl)acetamide.
What is the SMILES notation for 2-(3H-azepin-6-yl)acetamide?
The canonical SMILES for 2-(3H-azepin-6-yl)acetamide is NC(=O)CC1=CN=CCC=C1.
What is the InChIKey of 2-(3H-azepin-6-yl)acetamide?
The InChIKey is AJAVLONEGUDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-8(11)5-7-3-1-2-4-10-6-7/h1,3-4,6H,2,5H2,(H2,9,11).
What are the key properties of 2-(3H-azepin-6-yl)acetamide?
2-(3H-azepin-6-yl)acetamide has a molecular weight of 150.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-azepin-6-yl)acetamide is sourced from PubChem (CID 57038876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).