2-iminopyrrolidine-1-carboxamide

C5H9N3O — CID 89022287

IUPAC2-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCCN1C(N)=O
InChIInChI=1S/C5H9N3O/c6-4-2-1-3-8(4)5(7)9/h6H,1-3H2,(H2,7,9)/b6-4+
InChIKeyLHJYAKNMRGHYHT-GQCTYLIASA-N
MW127.15 g/mol
LogP0.14
Rot. Bonds

About 2-iminopyrrolidine-1-carboxamide

2-iminopyrrolidine-1-carboxamide (PubChem CID 89022287) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-iminopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-iminopyrrolidine-1-carboxamide
PubChem CID89022287
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCCN1C(N)=O
InChIInChI=1S/C5H9N3O/c6-4-2-1-3-8(4)5(7)9/h6H,1-3H2,(H2,7,9)/b6-4+
InChIKeyLHJYAKNMRGHYHT-GQCTYLIASA-N
XLogP0.14
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-iminopyrrolidine-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-iminopyrrolidine-1-carboxamide?
The IUPAC name of 2-iminopyrrolidine-1-carboxamide (CID 89022287) is 2-iminopyrrolidine-1-carboxamide.
What is the SMILES notation for 2-iminopyrrolidine-1-carboxamide?
The canonical SMILES for 2-iminopyrrolidine-1-carboxamide is [H]/N=C1\CCCN1C(N)=O.
What is the InChIKey of 2-iminopyrrolidine-1-carboxamide?
The InChIKey is LHJYAKNMRGHYHT-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9N3O/c6-4-2-1-3-8(4)5(7)9/h6H,1-3H2,(H2,7,9)/b6-4+.
What are the key properties of 2-iminopyrrolidine-1-carboxamide?
2-iminopyrrolidine-1-carboxamide has a molecular weight of 127.15 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopyrrolidine-1-carboxamide is sourced from PubChem (CID 89022287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).