1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride

C6H13ClN2O — CID 71756205

IUPAC1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(9)8-3-2-6(7)4-8;/h6H,2-4,7H2,1H3;1H
InChIKeyNDNGPRLTQNOAMC-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.01
Rot. Bonds

About 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride

1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 71756205) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID71756205
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-5(9)8-3-2-6(7)4-8;/h6H,2-4,7H2,1H3;1H
InChIKeyNDNGPRLTQNOAMC-UHFFFAOYSA-N
XLogP-0.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopyrrolidin-1-yl)ethanone;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 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride (CID 71756205) is 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride is CC(=O)N1CCC(N)C1.Cl.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is NDNGPRLTQNOAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-5(9)8-3-2-6(7)4-8;/h6H,2-4,7H2,1H3;1H.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride?
1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 71756205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).