2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride

C7H15ClN2O — CID 44631040

IUPAC2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride
SMILESCNCC(=O)N1CCCC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-8-6-7(10)9-4-2-3-5-9;/h8H,2-6H2,1H3;1H
InChIKeyBOHWBCXULARPPK-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.25
Rot. Bonds2

About 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride

2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride (PubChem CID 44631040) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride
PubChem CID44631040
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride
SMILESCNCC(=O)N1CCCC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-8-6-7(10)9-4-2-3-5-9;/h8H,2-6H2,1H3;1H
InChIKeyBOHWBCXULARPPK-UHFFFAOYSA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(methylamino)-1-pyrrolidin-1-ylethanone;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-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride (CID 44631040) is 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride is CNCC(=O)N1CCCC1.Cl.
What is the InChIKey of 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride?
The InChIKey is BOHWBCXULARPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-8-6-7(10)9-4-2-3-5-9;/h8H,2-6H2,1H3;1H.
What are the key properties of 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride?
2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-pyrrolidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 44631040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).