1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one

C12H22N2O2 — CID 115371207

IUPAC1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one
SMILESCC1CCC(O)(CN2CCCNC2=O)CC1
InChIInChI=1S/C12H22N2O2/c1-10-3-5-12(16,6-4-10)9-14-8-2-7-13-11(14)15/h10,16H,2-9H2,1H3,(H,13,15)
InChIKeyXZZISAZRMMUKEX-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.34
Rot. Bonds2

About 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one (PubChem CID 115371207) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one
PubChem CID115371207
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one
SMILESCC1CCC(O)(CN2CCCNC2=O)CC1
InChIInChI=1S/C12H22N2O2/c1-10-3-5-12(16,6-4-10)9-14-8-2-7-13-11(14)15/h10,16H,2-9H2,1H3,(H,13,15)
InChIKeyXZZISAZRMMUKEX-UHFFFAOYSA-N
XLogP1.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one (CID 115371207) is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one is CC1CCC(O)(CN2CCCNC2=O)CC1.
What is the InChIKey of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one?
The InChIKey is XZZISAZRMMUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-3-5-12(16,6-4-10)9-14-8-2-7-13-11(14)15/h10,16H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one?
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).