1-benzoyl-5-propan-2-yloxypyrrolidin-2-one

C14H17NO3 — CID 3077937

IUPAC1-benzoyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)18-13-9-8-12(16)15(13)14(17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyHNJWQOGVPHFQPY-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.20
Rot. Bonds3

About 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one

1-benzoyl-5-propan-2-yloxypyrrolidin-2-one (PubChem CID 3077937) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzoyl-5-propan-2-yloxypyrrolidin-2-one
PubChem CID3077937
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-benzoyl-5-propan-2-yloxypyrrolidin-2-one
SMILESCC(C)OC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)18-13-9-8-12(16)15(13)14(17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyHNJWQOGVPHFQPY-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one?
The IUPAC name of 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one (CID 3077937) is 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one.
What is the SMILES notation for 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one?
The canonical SMILES for 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one is CC(C)OC1CCC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one?
The InChIKey is HNJWQOGVPHFQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)18-13-9-8-12(16)15(13)14(17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one?
1-benzoyl-5-propan-2-yloxypyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-propan-2-yloxypyrrolidin-2-one is sourced from PubChem (CID 3077937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).