4-(1-phenylpropyl)pyrrolidin-2-one

C13H17NO — CID 122156868

IUPAC4-(1-phenylpropyl)pyrrolidin-2-one
SMILESCCC(c1ccccc1)C1CNC(=O)C1
InChIInChI=1S/C13H17NO/c1-2-12(10-6-4-3-5-7-10)11-8-13(15)14-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)
InChIKeyRJQXMTQXSQXQNP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.32
Rot. Bonds3

About 4-(1-phenylpropyl)pyrrolidin-2-one

4-(1-phenylpropyl)pyrrolidin-2-one (PubChem CID 122156868) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(1-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-phenylpropyl)pyrrolidin-2-one
PubChem CID122156868
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-(1-phenylpropyl)pyrrolidin-2-one
SMILESCCC(c1ccccc1)C1CNC(=O)C1
InChIInChI=1S/C13H17NO/c1-2-12(10-6-4-3-5-7-10)11-8-13(15)14-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,14,15)
InChIKeyRJQXMTQXSQXQNP-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-phenylpropyl)pyrrolidin-2-one (CID 122156868) is 4-(1-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-phenylpropyl)pyrrolidin-2-one is CCC(c1ccccc1)C1CNC(=O)C1.
What is the InChIKey of 4-(1-phenylpropyl)pyrrolidin-2-one?
The InChIKey is RJQXMTQXSQXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12(10-6-4-3-5-7-10)11-8-13(15)14-9-11/h3-7,11-12H,2,8-9H2,1H3,(H,14,15).
What are the key properties of 4-(1-phenylpropyl)pyrrolidin-2-one?
4-(1-phenylpropyl)pyrrolidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 122156868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).