1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one

C14H17NO — CID 118680503

IUPAC1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one
SMILESCCC1CC=CC=C1n1cc(C)ccc1=O
InChIInChI=1S/C14H17NO/c1-3-12-6-4-5-7-13(12)15-10-11(2)8-9-14(15)16/h4-5,7-10,12H,3,6H2,1-2H3
InChIKeyKITPIGWWZIPYMC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.98
Rot. Bonds2

About 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one

1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one (PubChem CID 118680503) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one
PubChem CID118680503
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one
SMILESCCC1CC=CC=C1n1cc(C)ccc1=O
InChIInChI=1S/C14H17NO/c1-3-12-6-4-5-7-13(12)15-10-11(2)8-9-14(15)16/h4-5,7-10,12H,3,6H2,1-2H3
InChIKeyKITPIGWWZIPYMC-UHFFFAOYSA-N
XLogP2.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one?
The IUPAC name of 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one (CID 118680503) is 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one is CCC1CC=CC=C1n1cc(C)ccc1=O.
What is the InChIKey of 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one?
The InChIKey is KITPIGWWZIPYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-12-6-4-5-7-13(12)15-10-11(2)8-9-14(15)16/h4-5,7-10,12H,3,6H2,1-2H3.
What are the key properties of 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one?
1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylcyclohexa-1,3-dien-1-yl)-5-methylpyridin-2-one is sourced from PubChem (CID 118680503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).