3-amino-1-(cyclohexylmethyl)pyridin-2-one

C12H18N2O — CID 62101138

IUPAC3-amino-1-(cyclohexylmethyl)pyridin-2-one
SMILESNc1cccn(CC2CCCCC2)c1=O
InChIInChI=1S/C12H18N2O/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,13H2
InChIKeySVGIULAFNLYPPR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.01
Rot. Bonds2

About 3-amino-1-(cyclohexylmethyl)pyridin-2-one

3-amino-1-(cyclohexylmethyl)pyridin-2-one (PubChem CID 62101138) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-1-(cyclohexylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(cyclohexylmethyl)pyridin-2-one
PubChem CID62101138
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-1-(cyclohexylmethyl)pyridin-2-one
SMILESNc1cccn(CC2CCCCC2)c1=O
InChIInChI=1S/C12H18N2O/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,13H2
InChIKeySVGIULAFNLYPPR-UHFFFAOYSA-N
XLogP2.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclohexylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(cyclohexylmethyl)pyridin-2-one (CID 62101138) is 3-amino-1-(cyclohexylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(cyclohexylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(cyclohexylmethyl)pyridin-2-one is Nc1cccn(CC2CCCCC2)c1=O.
What is the InChIKey of 3-amino-1-(cyclohexylmethyl)pyridin-2-one?
The InChIKey is SVGIULAFNLYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,13H2.
What are the key properties of 3-amino-1-(cyclohexylmethyl)pyridin-2-one?
3-amino-1-(cyclohexylmethyl)pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclohexylmethyl)pyridin-2-one is sourced from PubChem (CID 62101138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).