5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one

C10H13NO — CID 142607978

IUPAC5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one
SMILESO=C1CCC(C2=CC=CCC2)N1
InChIInChI=1S/C10H13NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-2,4,9H,3,5-7H2,(H,11,12)
InChIKeyAMOIWPXPKIZFIH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds1

About 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one

5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one (PubChem CID 142607978) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one
PubChem CID142607978
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one
SMILESO=C1CCC(C2=CC=CCC2)N1
InChIInChI=1S/C10H13NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-2,4,9H,3,5-7H2,(H,11,12)
InChIKeyAMOIWPXPKIZFIH-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
The IUPAC name of 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one (CID 142607978) is 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one is O=C1CCC(C2=CC=CCC2)N1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
The InChIKey is AMOIWPXPKIZFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-2,4,9H,3,5-7H2,(H,11,12).
What are the key properties of 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one is sourced from PubChem (CID 142607978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).