(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one

C10H11ClN2O — CID 11128620

IUPAC(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C10H11ClN2O/c11-7-3-1-2-4-9(7)13-6-5-8(12)10(13)14/h1-4,8H,5-6,12H2/t8-/m0/s1
InChIKeyVDSDJJOPJXUSMV-QMMMGPOBSA-N
MW210.66 g/mol
LogP1.40
Rot. Bonds1

About (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one

(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one (PubChem CID 11128620) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
PubChem CID11128620
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C10H11ClN2O/c11-7-3-1-2-4-9(7)13-6-5-8(12)10(13)14/h1-4,8H,5-6,12H2/t8-/m0/s1
InChIKeyVDSDJJOPJXUSMV-QMMMGPOBSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one (CID 11128620) is (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one is N[C@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one?
The InChIKey is VDSDJJOPJXUSMV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-7-3-1-2-4-9(7)13-6-5-8(12)10(13)14/h1-4,8H,5-6,12H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one?
(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 11128620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).