5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one

C13H20N2O — CID 67869177

IUPAC5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one
SMILESCNC1(Cc2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C13H20N2O/c1-14-13(7-3-2-4-8-13)9-11-5-6-12(16)15-10-11/h5-6,10,14H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyIIHZFCMGGUCGNQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.84
Rot. Bonds3

About 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one

5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one (PubChem CID 67869177) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one
PubChem CID67869177
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one
SMILESCNC1(Cc2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C13H20N2O/c1-14-13(7-3-2-4-8-13)9-11-5-6-12(16)15-10-11/h5-6,10,14H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyIIHZFCMGGUCGNQ-UHFFFAOYSA-N
XLogP1.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one (CID 67869177) is 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one is CNC1(Cc2ccc(=O)[nH]c2)CCCCC1.
What is the InChIKey of 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one?
The InChIKey is IIHZFCMGGUCGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-13(7-3-2-4-8-13)9-11-5-6-12(16)15-10-11/h5-6,10,14H,2-4,7-9H2,1H3,(H,15,16).
What are the key properties of 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one?
5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(methylamino)cyclohexyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 67869177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).