1-(3-aminophenyl)-4-chloropyrrolidin-2-one

C10H11ClN2O — CID 168689822

IUPAC1-(3-aminophenyl)-4-chloropyrrolidin-2-one
SMILESNc1cccc(N2CC(Cl)CC2=O)c1
InChIInChI=1S/C10H11ClN2O/c11-7-4-10(14)13(6-7)9-3-1-2-8(12)5-9/h1-3,5,7H,4,6,12H2
InChIKeyMLAVJXDSUCVOLP-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.61
Rot. Bonds1

About 1-(3-aminophenyl)-4-chloropyrrolidin-2-one

1-(3-aminophenyl)-4-chloropyrrolidin-2-one (PubChem CID 168689822) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-chloropyrrolidin-2-one
PubChem CID168689822
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(3-aminophenyl)-4-chloropyrrolidin-2-one
SMILESNc1cccc(N2CC(Cl)CC2=O)c1
InChIInChI=1S/C10H11ClN2O/c11-7-4-10(14)13(6-7)9-3-1-2-8(12)5-9/h1-3,5,7H,4,6,12H2
InChIKeyMLAVJXDSUCVOLP-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
4-chloro-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168687326
3-(4-chloro-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168689837
4-chloro-1-[3-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
CID 168689839
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
CID 168689243
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
2-amino-4-(4-chloro-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168689165
4-chloro-1-(3-oxo-1H-2-benzofuran-5-yl)pyrrolidin-2-one
CID 168689659

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-chloropyrrolidin-2-one (CID 168689822) is 1-(3-aminophenyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-chloropyrrolidin-2-one is Nc1cccc(N2CC(Cl)CC2=O)c1.
What is the InChIKey of 1-(3-aminophenyl)-4-chloropyrrolidin-2-one?
The InChIKey is MLAVJXDSUCVOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-7-4-10(14)13(6-7)9-3-1-2-8(12)5-9/h1-3,5,7H,4,6,12H2.
What are the key properties of 1-(3-aminophenyl)-4-chloropyrrolidin-2-one?
1-(3-aminophenyl)-4-chloropyrrolidin-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168689822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).