1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one

C17H21NO — CID 3082676

IUPAC1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C17H21NO/c19-16-9-13-18(14-10-16)17(11-5-2-6-12-17)15-7-3-1-4-8-15/h1,3-4,7-9,13H,2,5-6,10-12,14H2
InChIKeyIRFHWACLBZROGV-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.63
Rot. Bonds2

About 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one

1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one (PubChem CID 3082676) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one
PubChem CID3082676
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C17H21NO/c19-16-9-13-18(14-10-16)17(11-5-2-6-12-17)15-7-3-1-4-8-15/h1,3-4,7-9,13H,2,5-6,10-12,14H2
InChIKeyIRFHWACLBZROGV-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one (CID 3082676) is 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one is O=C1C=CN(C2(c3ccccc3)CCCCC2)CC1.
What is the InChIKey of 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one?
The InChIKey is IRFHWACLBZROGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-16-9-13-18(14-10-16)17(11-5-2-6-12-17)15-7-3-1-4-8-15/h1,3-4,7-9,13H,2,5-6,10-12,14H2.
What are the key properties of 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one?
1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one has a molecular weight of 255.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclohexyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 3082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).