2-(azepan-1-yl)acetohydrazide

C8H17N3O — CID 4979896

IUPAC2-(azepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCCCCC1
InChIInChI=1S/C8H17N3O/c9-10-8(12)7-11-5-3-1-2-4-6-11/h1-7,9H2,(H,10,12)
InChIKeyCNUWCOZKIQUWLH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.15
Rot. Bonds2

About 2-(azepan-1-yl)acetohydrazide

2-(azepan-1-yl)acetohydrazide (PubChem CID 4979896) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(azepan-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(azepan-1-yl)acetohydrazide
PubChem CID4979896
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(azepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCCCCC1
InChIInChI=1S/C8H17N3O/c9-10-8(12)7-11-5-3-1-2-4-6-11/h1-7,9H2,(H,10,12)
InChIKeyCNUWCOZKIQUWLH-UHFFFAOYSA-N
XLogP-0.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(azepan-1-yl)acetohydrazide 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-(azepan-1-yl)acetohydrazide?
The IUPAC name of 2-(azepan-1-yl)acetohydrazide (CID 4979896) is 2-(azepan-1-yl)acetohydrazide.
What is the SMILES notation for 2-(azepan-1-yl)acetohydrazide?
The canonical SMILES for 2-(azepan-1-yl)acetohydrazide is NNC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)acetohydrazide?
The InChIKey is CNUWCOZKIQUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-10-8(12)7-11-5-3-1-2-4-6-11/h1-7,9H2,(H,10,12).
What are the key properties of 2-(azepan-1-yl)acetohydrazide?
2-(azepan-1-yl)acetohydrazide has a molecular weight of 171.24 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)acetohydrazide is sourced from PubChem (CID 4979896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).