2-cyanoazetidine-1-carboxamide

C5H7N3O — CID 177065532

IUPAC2-cyanoazetidine-1-carboxamide
SMILESN#CC1CCN1C(N)=O
InChIInChI=1S/C5H7N3O/c6-3-4-1-2-8(4)5(7)9/h4H,1-2H2,(H2,7,9)
InChIKeyHGQKOMYUACJGEQ-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.34
Rot. Bonds

About 2-cyanoazetidine-1-carboxamide

2-cyanoazetidine-1-carboxamide (PubChem CID 177065532) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-cyanoazetidine-1-carboxamide.

Molecular Properties

Compound Name2-cyanoazetidine-1-carboxamide
PubChem CID177065532
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-cyanoazetidine-1-carboxamide
SMILESN#CC1CCN1C(N)=O
InChIInChI=1S/C5H7N3O/c6-3-4-1-2-8(4)5(7)9/h4H,1-2H2,(H2,7,9)
InChIKeyHGQKOMYUACJGEQ-UHFFFAOYSA-N
XLogP-0.34
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyanoazetidine-1-carboxamide 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-cyanoazetidine-1-carboxamide?
The IUPAC name of 2-cyanoazetidine-1-carboxamide (CID 177065532) is 2-cyanoazetidine-1-carboxamide.
What is the SMILES notation for 2-cyanoazetidine-1-carboxamide?
The canonical SMILES for 2-cyanoazetidine-1-carboxamide is N#CC1CCN1C(N)=O.
What is the InChIKey of 2-cyanoazetidine-1-carboxamide?
The InChIKey is HGQKOMYUACJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-3-4-1-2-8(4)5(7)9/h4H,1-2H2,(H2,7,9).
What are the key properties of 2-cyanoazetidine-1-carboxamide?
2-cyanoazetidine-1-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoazetidine-1-carboxamide is sourced from PubChem (CID 177065532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).