azane;4-cyanobutanamide

C5H11N3O — CID 87697318

IUPACazane;4-cyanobutanamide
SMILESN.N#CCCCC(N)=O
InChIInChI=1S/C5H8N2O.H3N/c6-4-2-1-3-5(7)8;/h1-3H2,(H2,7,8);1H3
InChIKeyMULIUAONPUGFLM-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.33
Rot. Bonds3

About azane;4-cyanobutanamide

azane;4-cyanobutanamide (PubChem CID 87697318) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is azane;4-cyanobutanamide.

Molecular Properties

Compound Nameazane;4-cyanobutanamide
PubChem CID87697318
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Nameazane;4-cyanobutanamide
SMILESN.N#CCCCC(N)=O
InChIInChI=1S/C5H8N2O.H3N/c6-4-2-1-3-5(7)8;/h1-3H2,(H2,7,8);1H3
InChIKeyMULIUAONPUGFLM-UHFFFAOYSA-N
XLogP0.33
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;4-cyanobutanamide 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;4-cyanobutanamide?
The IUPAC name of azane;4-cyanobutanamide (CID 87697318) is azane;4-cyanobutanamide.
What is the SMILES notation for azane;4-cyanobutanamide?
The canonical SMILES for azane;4-cyanobutanamide is N.N#CCCCC(N)=O.
What is the InChIKey of azane;4-cyanobutanamide?
The InChIKey is MULIUAONPUGFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.H3N/c6-4-2-1-3-5(7)8;/h1-3H2,(H2,7,8);1H3.
What are the key properties of azane;4-cyanobutanamide?
azane;4-cyanobutanamide has a molecular weight of 129.16 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-cyanobutanamide is sourced from PubChem (CID 87697318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).