6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one

C10H16N2O2 — CID 106677652

IUPAC6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
SMILESCn1ccnc1CCC(=O)CCCO
InChIInChI=1S/C10H16N2O2/c1-12-7-6-11-10(12)5-4-9(14)3-2-8-13/h6-7,13H,2-5,8H2,1H3
InChIKeyYYEIGHQUSOOTBQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.69
Rot. Bonds6

About 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one

6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one (PubChem CID 106677652) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one.

Molecular Properties

Compound Name6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
PubChem CID106677652
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
SMILESCn1ccnc1CCC(=O)CCCO
InChIInChI=1S/C10H16N2O2/c1-12-7-6-11-10(12)5-4-9(14)3-2-8-13/h6-7,13H,2-5,8H2,1H3
InChIKeyYYEIGHQUSOOTBQ-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
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CID 105133788
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2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
CID 90239240
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
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4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
10-(1-methylimidazol-2-yl)decanoic acid
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3-(1-methylimidazol-2-yl)propan-1-ol;trifluoromethanesulfonic acid
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CID 114533349

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one?
The IUPAC name of 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one (CID 106677652) is 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one.
What is the SMILES notation for 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one?
The canonical SMILES for 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one is Cn1ccnc1CCC(=O)CCCO.
What is the InChIKey of 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one?
The InChIKey is YYEIGHQUSOOTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-7-6-11-10(12)5-4-9(14)3-2-8-13/h6-7,13H,2-5,8H2,1H3.
What are the key properties of 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one?
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one is sourced from PubChem (CID 106677652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).