6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one

C19H23NO2 — CID 71654766

IUPAC6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one
SMILESCC1CCCCC1Oc1cc(Cc2ccccc2)[nH]c(=O)c1
InChIInChI=1S/C19H23NO2/c1-14-7-5-6-10-18(14)22-17-12-16(20-19(21)13-17)11-15-8-3-2-4-9-15/h2-4,8-9,12-14,18H,5-7,10-11H2,1H3,(H,20,21)
InChIKeyLGBGXVDJUXORHY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.92
Rot. Bonds4

About 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one

6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one (PubChem CID 71654766) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one
PubChem CID71654766
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one
SMILESCC1CCCCC1Oc1cc(Cc2ccccc2)[nH]c(=O)c1
InChIInChI=1S/C19H23NO2/c1-14-7-5-6-10-18(14)22-17-12-16(20-19(21)13-17)11-15-8-3-2-4-9-15/h2-4,8-9,12-14,18H,5-7,10-11H2,1H3,(H,20,21)
InChIKeyLGBGXVDJUXORHY-UHFFFAOYSA-N
XLogP3.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one?
The IUPAC name of 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one (CID 71654766) is 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one.
What is the SMILES notation for 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one?
The canonical SMILES for 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one is CC1CCCCC1Oc1cc(Cc2ccccc2)[nH]c(=O)c1.
What is the InChIKey of 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one?
The InChIKey is LGBGXVDJUXORHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-7-5-6-10-18(14)22-17-12-16(20-19(21)13-17)11-15-8-3-2-4-9-15/h2-4,8-9,12-14,18H,5-7,10-11H2,1H3,(H,20,21).
What are the key properties of 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one?
6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one has a molecular weight of 297.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-(2-methylcyclohexyl)oxy-1H-pyridin-2-one is sourced from PubChem (CID 71654766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).