(5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one

C11H12ClNO — CID 130751967

IUPAC(5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1c(Cl)cccc1[C@H]1CCC(=O)N1
InChIInChI=1S/C11H12ClNO/c1-7-8(3-2-4-9(7)12)10-5-6-11(14)13-10/h2-4,10H,5-6H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyAYUASHQXNKCVTN-SNVBAGLBSA-N
MW209.68 g/mol
LogP2.60
Rot. Bonds1

About (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one

(5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one (PubChem CID 130751967) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one
PubChem CID130751967
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one
SMILESCc1c(Cl)cccc1[C@H]1CCC(=O)N1
InChIInChI=1S/C11H12ClNO/c1-7-8(3-2-4-9(7)12)10-5-6-11(14)13-10/h2-4,10H,5-6H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyAYUASHQXNKCVTN-SNVBAGLBSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one (CID 130751967) is (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one is Cc1c(Cl)cccc1[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is AYUASHQXNKCVTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-8(3-2-4-9(7)12)10-5-6-11(14)13-10/h2-4,10H,5-6H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one?
(5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-chloro-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 130751967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).