3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one

C10H16N2O2 — CID 46856542

IUPAC3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one
SMILESCC(C)C(O)CC(=O)c1nccn1C
InChIInChI=1S/C10H16N2O2/c1-7(2)8(13)6-9(14)10-11-4-5-12(10)3/h4-5,7-8,13H,6H2,1-3H3
InChIKeyFQKCRPLPNMJHDI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.01
Rot. Bonds4

About 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one

3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one (PubChem CID 46856542) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one
PubChem CID46856542
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one
SMILESCC(C)C(O)CC(=O)c1nccn1C
InChIInChI=1S/C10H16N2O2/c1-7(2)8(13)6-9(14)10-11-4-5-12(10)3/h4-5,7-8,13H,6H2,1-3H3
InChIKeyFQKCRPLPNMJHDI-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Dimethyl-1-(1-methylimidazol-2-yl)pentan-1-one
CID 10512030
4,4,4-Trifluoro-3-hydroxy-1-(1-methylimidazol-2-yl)butan-1-one
CID 178337121
(3S,4R)-3-hydroxy-4-methyl-5-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]pentanamide
CID 122601126
3-Hydroxy-1-(1-methyl-1H-imidazol-2-yl)butan-1-one
CID 46856530
(S)-3-Hydroxy-4,4-dimethyl-1-(1-methyl-1H-imidazol-2-yl)pentan-1-one
CID 46856532
3-Hydroxy-1-(1-methyl-1H-imidazol-2-yl)octan-1-one
CID 46856533
(R)-3-Hydroxy-4,4-dimethyl-1-(1-methyl-1H-imidazol-2-yl)pentan-1-one
CID 46856535
3-Hydroxy-1-(1-isopropyl-1H-imidazol-2-yl)-1-butanone
CID 46856536
3-Methoxy-1-(1-methylimidazol-2-yl)butan-1-one
CID 104249550
(R,R)-2-Deutero-3-hydroxy-4,4-dimethyl-1-(1-methyl-1H-imidazol-2-yl)pentan-1-one
CID 138962699
(S,R)-2-Deutero-3-hydroxy-4,4-dimethyl-1-(1-methyl-1H-imidazol-2-yl)pentan-1-one
CID 138962715
3-Ethoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one
CID 155935176

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one?
The IUPAC name of 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one (CID 46856542) is 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one.
What is the SMILES notation for 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one?
The canonical SMILES for 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one is CC(C)C(O)CC(=O)c1nccn1C.
What is the InChIKey of 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one?
The InChIKey is FQKCRPLPNMJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)8(13)6-9(14)10-11-4-5-12(10)3/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one?
3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-1-one is sourced from PubChem (CID 46856542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).