azane;1H-pyridin-2-ylidenemethanone

C6H8N2O — CID 87709743

IUPACazane;1H-pyridin-2-ylidenemethanone
SMILESN.O=C=C1C=CC=CN1
InChIInChI=1S/C6H5NO.H3N/c8-5-6-3-1-2-4-7-6;/h1-4,7H;1H3
InChIKeyCZLBMDXAMNZWAV-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.54
Rot. Bonds

About azane;1H-pyridin-2-ylidenemethanone

azane;1H-pyridin-2-ylidenemethanone (PubChem CID 87709743) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is azane;1H-pyridin-2-ylidenemethanone.

Molecular Properties

Compound Nameazane;1H-pyridin-2-ylidenemethanone
PubChem CID87709743
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Nameazane;1H-pyridin-2-ylidenemethanone
SMILESN.O=C=C1C=CC=CN1
InChIInChI=1S/C6H5NO.H3N/c8-5-6-3-1-2-4-7-6;/h1-4,7H;1H3
InChIKeyCZLBMDXAMNZWAV-UHFFFAOYSA-N
XLogP0.54
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

Analyze azane;1H-pyridin-2-ylidenemethanone 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 azane;1H-pyridin-2-ylidenemethanone?
The IUPAC name of azane;1H-pyridin-2-ylidenemethanone (CID 87709743) is azane;1H-pyridin-2-ylidenemethanone.
What is the SMILES notation for azane;1H-pyridin-2-ylidenemethanone?
The canonical SMILES for azane;1H-pyridin-2-ylidenemethanone is N.O=C=C1C=CC=CN1.
What is the InChIKey of azane;1H-pyridin-2-ylidenemethanone?
The InChIKey is CZLBMDXAMNZWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.H3N/c8-5-6-3-1-2-4-7-6;/h1-4,7H;1H3.
What are the key properties of azane;1H-pyridin-2-ylidenemethanone?
azane;1H-pyridin-2-ylidenemethanone has a molecular weight of 124.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1H-pyridin-2-ylidenemethanone is sourced from PubChem (CID 87709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).