1-cyclohexa-2,4-dien-1-ylpyridin-2-one

C11H11NO — CID 70210547

IUPAC1-cyclohexa-2,4-dien-1-ylpyridin-2-one
SMILESO=c1ccccn1C1C=CC=CC1
InChIInChI=1S/C11H11NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-6,8-10H,7H2
InChIKeyYODCVGMYHLJGQY-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.91
Rot. Bonds1

About 1-cyclohexa-2,4-dien-1-ylpyridin-2-one

1-cyclohexa-2,4-dien-1-ylpyridin-2-one (PubChem CID 70210547) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-ylpyridin-2-one
PubChem CID70210547
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-cyclohexa-2,4-dien-1-ylpyridin-2-one
SMILESO=c1ccccn1C1C=CC=CC1
InChIInChI=1S/C11H11NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-6,8-10H,7H2
InChIKeyYODCVGMYHLJGQY-UHFFFAOYSA-N
XLogP1.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Pyridinone, 1-isopropyl-
CID 549116
(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
CID 131751449
2,4,6,8-Decatetraenoic acid dehydropiperidide
CID 131751450
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
CID 14427403
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
CID 14427404
(2E,4E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4-dien-1-one
CID 14427406
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 14427408
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-(9CI)
CID 72731314
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4-dien-1-one
CID 72731315
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 72731316
1-(3,4-Dihydro-1(2H)-pyridinyl)-2,4,6,8-decatetraen-1-one
CID 163012805
6,7,8,9-Tetrahydroquinolizin-4-one
CID 13616826

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-ylpyridin-2-one?
The IUPAC name of 1-cyclohexa-2,4-dien-1-ylpyridin-2-one (CID 70210547) is 1-cyclohexa-2,4-dien-1-ylpyridin-2-one.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-ylpyridin-2-one?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-ylpyridin-2-one is O=c1ccccn1C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-ylpyridin-2-one?
The InChIKey is YODCVGMYHLJGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11-8-4-5-9-12(11)10-6-2-1-3-7-10/h1-6,8-10H,7H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-ylpyridin-2-one?
1-cyclohexa-2,4-dien-1-ylpyridin-2-one has a molecular weight of 173.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-ylpyridin-2-one is sourced from PubChem (CID 70210547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).