1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one

C17H21NO — CID 10777410

IUPAC1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one
SMILESO=C1CCC=C(c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C17H21NO/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1,3-4,8-9,12,15H,2,5-7,10-11,13H2
InChIKeyBDDPHDDROFKLDM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.98
Rot. Bonds2

About 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one

1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one (PubChem CID 10777410) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one
PubChem CID10777410
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one
SMILESO=C1CCC=C(c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C17H21NO/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1,3-4,8-9,12,15H,2,5-7,10-11,13H2
InChIKeyBDDPHDDROFKLDM-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one (CID 10777410) is 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one is O=C1CCC=C(c2ccccc2)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one?
The InChIKey is BDDPHDDROFKLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h1,3-4,8-9,12,15H,2,5-7,10-11,13H2.
What are the key properties of 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one?
1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 10777410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).