(5S)-1-methyl-5-phenylpyrrolidin-2-one

C11H13NO — CID 12870958

IUPAC(5S)-1-methyl-5-phenylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO/c1-12-10(7-8-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChIKeyCUEHCKZHRICMFY-JTQLQIEISA-N
MW175.23 g/mol
LogP1.98
Rot. Bonds1

About (5S)-1-methyl-5-phenylpyrrolidin-2-one

(5S)-1-methyl-5-phenylpyrrolidin-2-one (PubChem CID 12870958) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (5S)-1-methyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-phenylpyrrolidin-2-one
PubChem CID12870958
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(5S)-1-methyl-5-phenylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO/c1-12-10(7-8-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChIKeyCUEHCKZHRICMFY-JTQLQIEISA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Melinamide
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Isopropylphthalimide
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1-(Phenylmethyl)-2,5-pyrrolidinedione
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5-Benzylpyrrolidin-2-One
CID 99881
1-Benzyl-3-pyrrolidone
CID 79176
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
1-Benzylazepan-2-one
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4-Phenylazetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-phenylpyrrolidin-2-one?
The IUPAC name of (5S)-1-methyl-5-phenylpyrrolidin-2-one (CID 12870958) is (5S)-1-methyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-phenylpyrrolidin-2-one is CN1C(=O)CC[C@H]1c1ccccc1.
What is the InChIKey of (5S)-1-methyl-5-phenylpyrrolidin-2-one?
The InChIKey is CUEHCKZHRICMFY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO/c1-12-10(7-8-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-1-methyl-5-phenylpyrrolidin-2-one?
(5S)-1-methyl-5-phenylpyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 12870958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).