6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one

C12H17NO2 — CID 70151012

IUPAC6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)cc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H17NO2/c14-8-9-6-11(13-12(15)7-9)10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2,(H,13,15)
InChIKeyRDACIAMKJLIBAP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.91
Rot. Bonds2

About 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one

6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 70151012) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID70151012
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)cc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H17NO2/c14-8-9-6-11(13-12(15)7-9)10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2,(H,13,15)
InChIKeyRDACIAMKJLIBAP-UHFFFAOYSA-N
XLogP1.91
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one (CID 70151012) is 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(CO)cc(C2CCCCC2)[nH]1.
What is the InChIKey of 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is RDACIAMKJLIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-9-6-11(13-12(15)7-9)10-4-2-1-3-5-10/h6-7,10,14H,1-5,8H2,(H,13,15).
What are the key properties of 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one?
6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70151012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).