2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one

C11H14N2O — CID 18320299

IUPAC2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC1(C)C=C(c2ncc[nH]2)C(=O)CC1
InChIInChI=1S/C11H14N2O/c1-11(2)4-3-9(14)8(7-11)10-12-5-6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyHUZPSLOTYXIYMC-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.18
Rot. Bonds1

About 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one

2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320299) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320299
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC1(C)C=C(c2ncc[nH]2)C(=O)CC1
InChIInChI=1S/C11H14N2O/c1-11(2)4-3-9(14)8(7-11)10-12-5-6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyHUZPSLOTYXIYMC-UHFFFAOYSA-N
XLogP2.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one (CID 18320299) is 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one is CC1(C)C=C(c2ncc[nH]2)C(=O)CC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is HUZPSLOTYXIYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)4-3-9(14)8(7-11)10-12-5-6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one?
2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 190.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).