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

C10H13NO — CID 15965706

IUPAC1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one
SMILESO=C1CCCN1C1=CC=CCC1
InChIInChI=1S/C10H13NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-2,5H,3-4,6-8H2
InChIKeyPANDUQMTYUMTMA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.84
Rot. Bonds1

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

1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one (PubChem CID 15965706) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one
PubChem CID15965706
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one
SMILESO=C1CCCN1C1=CC=CCC1
InChIInChI=1S/C10H13NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-2,5H,3-4,6-8H2
InChIKeyPANDUQMTYUMTMA-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
The IUPAC name of 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one (CID 15965706) is 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one is O=C1CCCN1C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
The InChIKey is PANDUQMTYUMTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-2,5H,3-4,6-8H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one?
1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-ylpyrrolidin-2-one is sourced from PubChem (CID 15965706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).