6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one

C11H14N2O — CID 142670521

IUPAC6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one
SMILESCc1nccn1CC1CCC=CC1=O
InChIInChI=1S/C11H14N2O/c1-9-12-6-7-13(9)8-10-4-2-3-5-11(10)14/h3,5-7,10H,2,4,8H2,1H3
InChIKeyWHPBCNSDUIQGIZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.73
Rot. Bonds2

About 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one

6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one (PubChem CID 142670521) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one
PubChem CID142670521
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one
SMILESCc1nccn1CC1CCC=CC1=O
InChIInChI=1S/C11H14N2O/c1-9-12-6-7-13(9)8-10-4-2-3-5-11(10)14/h3,5-7,10H,2,4,8H2,1H3
InChIKeyWHPBCNSDUIQGIZ-UHFFFAOYSA-N
XLogP1.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one?
The IUPAC name of 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one (CID 142670521) is 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one is Cc1nccn1CC1CCC=CC1=O.
What is the InChIKey of 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one?
The InChIKey is WHPBCNSDUIQGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-12-6-7-13(9)8-10-4-2-3-5-11(10)14/h3,5-7,10H,2,4,8H2,1H3.
What are the key properties of 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one?
6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylimidazol-1-yl)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 142670521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).