1-phenylpyrrolidin-3-one

C10H11NO — CID 14495343

IUPAC1-phenylpyrrolidin-3-one
SMILESO=C1CCN(c2ccccc2)C1
InChIInChI=1S/C10H11NO/c12-10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyGTZAZJLKSXIJOF-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.47
Rot. Bonds1

About 1-phenylpyrrolidin-3-one

1-phenylpyrrolidin-3-one (PubChem CID 14495343) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-phenylpyrrolidin-3-one.

Molecular Properties

Compound Name1-phenylpyrrolidin-3-one
PubChem CID14495343
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-phenylpyrrolidin-3-one
SMILESO=C1CCN(c2ccccc2)C1
InChIInChI=1S/C10H11NO/c12-10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyGTZAZJLKSXIJOF-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrolidin-3-one?
The IUPAC name of 1-phenylpyrrolidin-3-one (CID 14495343) is 1-phenylpyrrolidin-3-one.
What is the SMILES notation for 1-phenylpyrrolidin-3-one?
The canonical SMILES for 1-phenylpyrrolidin-3-one is O=C1CCN(c2ccccc2)C1.
What is the InChIKey of 1-phenylpyrrolidin-3-one?
The InChIKey is GTZAZJLKSXIJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-10-6-7-11(8-10)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 1-phenylpyrrolidin-3-one?
1-phenylpyrrolidin-3-one has a molecular weight of 161.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrolidin-3-one is sourced from PubChem (CID 14495343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).