(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one

C11H13ClN2O — CID 94237135

IUPAC(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@@H](N)C2=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-7-2-3-10(8(12)6-7)14-5-4-9(13)11(14)15/h2-3,6,9H,4-5,13H2,1H3/t9-/m1/s1
InChIKeyBTJYBBIVLKVOFN-SECBINFHSA-N
MW224.69 g/mol
LogP1.71
Rot. Bonds1

About (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one

(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one (PubChem CID 94237135) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one
PubChem CID94237135
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@@H](N)C2=O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-7-2-3-10(8(12)6-7)14-5-4-9(13)11(14)15/h2-3,6,9H,4-5,13H2,1H3/t9-/m1/s1
InChIKeyBTJYBBIVLKVOFN-SECBINFHSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one (CID 94237135) is (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC[C@@H](N)C2=O)c(Cl)c1.
What is the InChIKey of (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is BTJYBBIVLKVOFN-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-2-3-10(8(12)6-7)14-5-4-9(13)11(14)15/h2-3,6,9H,4-5,13H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one?
(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 94237135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).