(3R)-3-methyl-5-phenylpyrrolidin-2-one

C11H13NO — CID 155223213

IUPAC(3R)-3-methyl-5-phenylpyrrolidin-2-one
SMILESC[C@@H]1CC(c2ccccc2)NC1=O
InChIInChI=1S/C11H13NO/c1-8-7-10(12-11(8)13)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyKNSQRZWCARGZJF-HNHGDDPOSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds1

About (3R)-3-methyl-5-phenylpyrrolidin-2-one

(3R)-3-methyl-5-phenylpyrrolidin-2-one (PubChem CID 155223213) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R)-3-methyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-5-phenylpyrrolidin-2-one
PubChem CID155223213
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3R)-3-methyl-5-phenylpyrrolidin-2-one
SMILESC[C@@H]1CC(c2ccccc2)NC1=O
InChIInChI=1S/C11H13NO/c1-8-7-10(12-11(8)13)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyKNSQRZWCARGZJF-HNHGDDPOSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-methyl-5-phenylpyrrolidin-2-one (CID 155223213) is (3R)-3-methyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-methyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-methyl-5-phenylpyrrolidin-2-one is C[C@@H]1CC(c2ccccc2)NC1=O.
What is the InChIKey of (3R)-3-methyl-5-phenylpyrrolidin-2-one?
The InChIKey is KNSQRZWCARGZJF-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-7-10(12-11(8)13)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)/t8-,10?/m1/s1.
What are the key properties of (3R)-3-methyl-5-phenylpyrrolidin-2-one?
(3R)-3-methyl-5-phenylpyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 155223213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).