(3R)-1-acetyl-3-phenylpyrrolidin-2-one

C12H13NO2 — CID 6991154

IUPAC(3R)-1-acetyl-3-phenylpyrrolidin-2-one
SMILESCC(=O)N1CC[C@H](c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9(14)13-8-7-11(12(13)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKeyIMYZAOXGXOHSHS-LLVKDONJSA-N
MW203.24 g/mol
LogP1.55
Rot. Bonds1

About (3R)-1-acetyl-3-phenylpyrrolidin-2-one

(3R)-1-acetyl-3-phenylpyrrolidin-2-one (PubChem CID 6991154) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3R)-1-acetyl-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-acetyl-3-phenylpyrrolidin-2-one
PubChem CID6991154
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3R)-1-acetyl-3-phenylpyrrolidin-2-one
SMILESCC(=O)N1CC[C@H](c2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9(14)13-8-7-11(12(13)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKeyIMYZAOXGXOHSHS-LLVKDONJSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-3-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-1-acetyl-3-phenylpyrrolidin-2-one (CID 6991154) is (3R)-1-acetyl-3-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-1-acetyl-3-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-1-acetyl-3-phenylpyrrolidin-2-one is CC(=O)N1CC[C@H](c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-acetyl-3-phenylpyrrolidin-2-one?
The InChIKey is IMYZAOXGXOHSHS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(14)13-8-7-11(12(13)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-acetyl-3-phenylpyrrolidin-2-one?
(3R)-1-acetyl-3-phenylpyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 6991154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).