5-(cyclohexylamino)-1-methylpyridin-2-one

C12H18N2O — CID 50988993

IUPAC5-(cyclohexylamino)-1-methylpyridin-2-one
SMILESCn1cc(NC2CCCCC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-14-9-11(7-8-12(14)15)13-10-5-3-2-4-6-10/h7-10,13H,2-6H2,1H3
InChIKeyHELWMYZRIQILHQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.13
Rot. Bonds2

About 5-(cyclohexylamino)-1-methylpyridin-2-one

5-(cyclohexylamino)-1-methylpyridin-2-one (PubChem CID 50988993) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(cyclohexylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(cyclohexylamino)-1-methylpyridin-2-one
PubChem CID50988993
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(cyclohexylamino)-1-methylpyridin-2-one
SMILESCn1cc(NC2CCCCC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-14-9-11(7-8-12(14)15)13-10-5-3-2-4-6-10/h7-10,13H,2-6H2,1H3
InChIKeyHELWMYZRIQILHQ-UHFFFAOYSA-N
XLogP2.13
TPSA34.03 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-(cyclohexylamino)-1-methylpyridin-2-one (CID 50988993) is 5-(cyclohexylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(cyclohexylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-(cyclohexylamino)-1-methylpyridin-2-one is Cn1cc(NC2CCCCC2)ccc1=O.
What is the InChIKey of 5-(cyclohexylamino)-1-methylpyridin-2-one?
The InChIKey is HELWMYZRIQILHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-9-11(7-8-12(14)15)13-10-5-3-2-4-6-10/h7-10,13H,2-6H2,1H3.
What are the key properties of 5-(cyclohexylamino)-1-methylpyridin-2-one?
5-(cyclohexylamino)-1-methylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 50988993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).