2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride

C12H16ClN3O — CID 13229985

IUPAC2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CN1CCC/C1=N\c1ccccc1
InChIInChI=1S/C12H15N3O.ClH/c13-11(16)9-15-8-4-7-12(15)14-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H2,13,16);1H/b14-12+;
InChIKeyCMQXJHQUPFHMLN-UNGNXWFZSA-N
MW253.73 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride

2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride (PubChem CID 13229985) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride
PubChem CID13229985
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CN1CCC/C1=N\c1ccccc1
InChIInChI=1S/C12H15N3O.ClH/c13-11(16)9-15-8-4-7-12(15)14-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H2,13,16);1H/b14-12+;
InChIKeyCMQXJHQUPFHMLN-UNGNXWFZSA-N
XLogP1.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride 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-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride (CID 13229985) is 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride is Cl.NC(=O)CN1CCC/C1=N\c1ccccc1.
What is the InChIKey of 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride?
The InChIKey is CMQXJHQUPFHMLN-UNGNXWFZSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c13-11(16)9-15-8-4-7-12(15)14-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H2,13,16);1H/b14-12+;.
What are the key properties of 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride?
2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyliminopyrrolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 13229985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).