4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride

C10H12Cl2N2O — CID 53433785

IUPAC4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClN2O.ClH/c11-7-1-3-9(4-2-7)13-6-8(12)5-10(13)14;/h1-4,8H,5-6,12H2;1H
InChIKeyIVCPWUZGCDFDMO-UHFFFAOYSA-N
MW247.12 g/mol
LogP1.83
Rot. Bonds1

About 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride

4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 53433785) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
PubChem CID53433785
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClN2O.ClH/c11-7-1-3-9(4-2-7)13-6-8(12)5-10(13)14;/h1-4,8H,5-6,12H2;1H
InChIKeyIVCPWUZGCDFDMO-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
CID 43521189
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-(4-amino-2-oxopyrrolidin-1-yl)-2-chlorobenzoic acid
CID 168700589
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride (CID 53433785) is 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride is Cl.NC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is IVCPWUZGCDFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O.ClH/c11-7-1-3-9(4-2-7)13-6-8(12)5-10(13)14;/h1-4,8H,5-6,12H2;1H.
What are the key properties of 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride?
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 247.12 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 53433785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).