4-cyclohexylidene-2-methyl-1H-imidazol-5-one

C10H14N2O — CID 137219208

IUPAC4-cyclohexylidene-2-methyl-1H-imidazol-5-one
SMILESCC1=NC(=C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H14N2O/c1-7-11-9(10(13)12-7)8-5-3-2-4-6-8/h2-6H2,1H3,(H,11,12,13)
InChIKeyYNEBIZWUEVTRFU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.75
Rot. Bonds

About 4-cyclohexylidene-2-methyl-1H-imidazol-5-one

4-cyclohexylidene-2-methyl-1H-imidazol-5-one (PubChem CID 137219208) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-cyclohexylidene-2-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-cyclohexylidene-2-methyl-1H-imidazol-5-one
PubChem CID137219208
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-cyclohexylidene-2-methyl-1H-imidazol-5-one
SMILESCC1=NC(=C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H14N2O/c1-7-11-9(10(13)12-7)8-5-3-2-4-6-8/h2-6H2,1H3,(H,11,12,13)
InChIKeyYNEBIZWUEVTRFU-UHFFFAOYSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 145271204
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cycloheptanone;cyclohexanone;cyclopentanone;ethane
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylidene-2-methyl-1H-imidazol-5-one?
The IUPAC name of 4-cyclohexylidene-2-methyl-1H-imidazol-5-one (CID 137219208) is 4-cyclohexylidene-2-methyl-1H-imidazol-5-one.
What is the SMILES notation for 4-cyclohexylidene-2-methyl-1H-imidazol-5-one?
The canonical SMILES for 4-cyclohexylidene-2-methyl-1H-imidazol-5-one is CC1=NC(=C2CCCCC2)C(=O)N1.
What is the InChIKey of 4-cyclohexylidene-2-methyl-1H-imidazol-5-one?
The InChIKey is YNEBIZWUEVTRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-11-9(10(13)12-7)8-5-3-2-4-6-8/h2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-cyclohexylidene-2-methyl-1H-imidazol-5-one?
4-cyclohexylidene-2-methyl-1H-imidazol-5-one has a molecular weight of 178.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylidene-2-methyl-1H-imidazol-5-one is sourced from PubChem (CID 137219208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).