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

C9H14N2O2 — CID 103451481

IUPAC4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
SMILESCC(O)C(=O)CCc1nccn1C
InChIInChI=1S/C9H14N2O2/c1-7(12)8(13)3-4-9-10-5-6-11(9)2/h5-7,12H,3-4H2,1-2H3
InChIKeyFPARDWZIBZRPBD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.30
Rot. Bonds4

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

4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one (PubChem CID 103451481) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
PubChem CID103451481
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
SMILESCC(O)C(=O)CCc1nccn1C
InChIInChI=1S/C9H14N2O2/c1-7(12)8(13)3-4-9-10-5-6-11(9)2/h5-7,12H,3-4H2,1-2H3
InChIKeyFPARDWZIBZRPBD-UHFFFAOYSA-N
XLogP0.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylimidazol-2-yl)-4-propylheptan-3-one
CID 115811810
5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
CID 115811755
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
1-amino-4-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-4-yl)butan-2-one
CID 114533354
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
3-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 115811872
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-chloro-1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529640
2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
CID 114532954

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one?
The IUPAC name of 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one (CID 103451481) is 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one.
What is the SMILES notation for 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one?
The canonical SMILES for 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one is CC(O)C(=O)CCc1nccn1C.
What is the InChIKey of 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one?
The InChIKey is FPARDWZIBZRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(12)8(13)3-4-9-10-5-6-11(9)2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one?
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one is sourced from PubChem (CID 103451481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).