1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one

C15H21NO — CID 123524168

IUPAC1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one
SMILESCC1=CC=C(N2CCC(C(C)C)=CC2=O)CC1
InChIInChI=1S/C15H21NO/c1-11(2)13-8-9-16(15(17)10-13)14-6-4-12(3)5-7-14/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyKKIUNNANQGLNGI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one

1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one (PubChem CID 123524168) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one
PubChem CID123524168
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one
SMILESCC1=CC=C(N2CCC(C(C)C)=CC2=O)CC1
InChIInChI=1S/C15H21NO/c1-11(2)13-8-9-16(15(17)10-13)14-6-4-12(3)5-7-14/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyKKIUNNANQGLNGI-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one (CID 123524168) is 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one is CC1=CC=C(N2CCC(C(C)C)=CC2=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one?
The InChIKey is KKIUNNANQGLNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)13-8-9-16(15(17)10-13)14-6-4-12(3)5-7-14/h4,6,10-11H,5,7-9H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one?
1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one has a molecular weight of 231.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 123524168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).