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

C12H18N2O — CID 24708924

IUPAC5-amino-1-(cyclohexylmethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC2CCCCC2)c1
InChIInChI=1S/C12H18N2O/c13-11-6-7-12(15)14(9-11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,13H2
InChIKeyDVWGIGIWJINJGQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.01
Rot. Bonds2

About 5-amino-1-(cyclohexylmethyl)pyridin-2-one

5-amino-1-(cyclohexylmethyl)pyridin-2-one (PubChem CID 24708924) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-amino-1-(cyclohexylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(cyclohexylmethyl)pyridin-2-one
PubChem CID24708924
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-amino-1-(cyclohexylmethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC2CCCCC2)c1
InChIInChI=1S/C12H18N2O/c13-11-6-7-12(15)14(9-11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,13H2
InChIKeyDVWGIGIWJINJGQ-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 5-amino-1-(cyclohexylmethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(cyclohexylmethyl)pyridin-2-one (CID 24708924) is 5-amino-1-(cyclohexylmethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(cyclohexylmethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(cyclohexylmethyl)pyridin-2-one is Nc1ccc(=O)n(CC2CCCCC2)c1.
What is the InChIKey of 5-amino-1-(cyclohexylmethyl)pyridin-2-one?
The InChIKey is DVWGIGIWJINJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-6-7-12(15)14(9-11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,13H2.
What are the key properties of 5-amino-1-(cyclohexylmethyl)pyridin-2-one?
5-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 5-amino-1-(cyclohexylmethyl)pyridin-2-one is sourced from PubChem (CID 24708924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).