1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one

C11H20N2O2 — CID 115370735

IUPAC1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one
SMILESCC1CCCC(O)(CN2CCNC2=O)C1
InChIInChI=1S/C11H20N2O2/c1-9-3-2-4-11(15,7-9)8-13-6-5-12-10(13)14/h9,15H,2-8H2,1H3,(H,12,14)
InChIKeyKSIAIVGYTBHUAF-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.95
Rot. Bonds2

About 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one

1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one (PubChem CID 115370735) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one
PubChem CID115370735
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one
SMILESCC1CCCC(O)(CN2CCNC2=O)C1
InChIInChI=1S/C11H20N2O2/c1-9-3-2-4-11(15,7-9)8-13-6-5-12-10(13)14/h9,15H,2-8H2,1H3,(H,12,14)
InChIKeyKSIAIVGYTBHUAF-UHFFFAOYSA-N
XLogP0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one
CID 115371207
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 65118896
3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 65119516
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 65118942
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990
2-[(1-hydroxy-3-methylcyclohexyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 65121224
1-[(3-hydroxyoxolan-3-yl)methyl]imidazolidin-2-one
CID 106103053
3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 61292826
1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one
CID 104549525
1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one
CID 63763914
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
2-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylisoindole-1,3-dione
CID 65121463

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one (CID 115370735) is 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one is CC1CCCC(O)(CN2CCNC2=O)C1.
What is the InChIKey of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one?
The InChIKey is KSIAIVGYTBHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-3-2-4-11(15,7-9)8-13-6-5-12-10(13)14/h9,15H,2-8H2,1H3,(H,12,14).
What are the key properties of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one?
1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 115370735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).