5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride

C12H19ClN2O — CID 67868313

IUPAC5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C2(N)CCCCC2)c[nH]c1=O.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-7-10(8-14-11(9)15)12(13)5-3-2-4-6-12;/h7-8H,2-6,13H2,1H3,(H,14,15);1H
InChIKeyRIEZOUJVDOLBGK-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.22
Rot. Bonds1

About 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride

5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 67868313) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID67868313
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C2(N)CCCCC2)c[nH]c1=O.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-7-10(8-14-11(9)15)12(13)5-3-2-4-6-12;/h7-8H,2-6,13H2,1H3,(H,14,15);1H
InChIKeyRIEZOUJVDOLBGK-UHFFFAOYSA-N
XLogP2.22
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride (CID 67868313) is 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride is Cc1cc(C2(N)CCCCC2)c[nH]c1=O.Cl.
What is the InChIKey of 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is RIEZOUJVDOLBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9-7-10(8-14-11(9)15)12(13)5-3-2-4-6-12;/h7-8H,2-6,13H2,1H3,(H,14,15);1H.
What are the key properties of 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride?
5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-3-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 67868313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).