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

C11H10ClNO2 — CID 3078132

IUPAC1-(4-chlorobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKeyHTMAAEZYWDDRFE-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.10
Rot. Bonds1

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

1-(4-chlorobenzoyl)pyrrolidin-2-one (PubChem CID 3078132) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)pyrrolidin-2-one
PubChem CID3078132
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-(4-chlorobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKeyHTMAAEZYWDDRFE-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-chlorobenzoyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorobenzoyl)pyrrolidin-2-one (CID 3078132) is 1-(4-chlorobenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorobenzoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorobenzoyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)pyrrolidin-2-one?
The InChIKey is HTMAAEZYWDDRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2.
What are the key properties of 1-(4-chlorobenzoyl)pyrrolidin-2-one?
1-(4-chlorobenzoyl)pyrrolidin-2-one has a molecular weight of 223.66 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 3078132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).