4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one

C16H19NO2 — CID 19988978

IUPAC4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1C1C=CCC1
InChIInChI=1S/C16H19NO2/c1-19-15-7-6-12(13-9-16(18)17-10-13)8-14(15)11-4-2-3-5-11/h2,4,6-8,11,13H,3,5,9-10H2,1H3,(H,17,18)
InChIKeyYWJTYGYSPVWUJQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.73
Rot. Bonds3

About 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one

4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 19988978) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID19988978
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1C1C=CCC1
InChIInChI=1S/C16H19NO2/c1-19-15-7-6-12(13-9-16(18)17-10-13)8-14(15)11-4-2-3-5-11/h2,4,6-8,11,13H,3,5,9-10H2,1H3,(H,17,18)
InChIKeyYWJTYGYSPVWUJQ-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one (CID 19988978) is 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1C1C=CCC1.
What is the InChIKey of 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is YWJTYGYSPVWUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-15-7-6-12(13-9-16(18)17-10-13)8-14(15)11-4-2-3-5-11/h2,4,6-8,11,13H,3,5,9-10H2,1H3,(H,17,18).
What are the key properties of 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one?
4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopent-2-en-1-yl-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 19988978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).