2-ethyl-4,4-dimethyl-1H-imidazol-5-one

C7H12N2O — CID 91418845

IUPAC2-ethyl-4,4-dimethyl-1H-imidazol-5-one
SMILESCCC1=NC(C)(C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-4-5-8-6(10)7(2,3)9-5/h4H2,1-3H3,(H,8,9,10)
InChIKeyDPWWSDXGVLOUFZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.70
Rot. Bonds1

About 2-ethyl-4,4-dimethyl-1H-imidazol-5-one

2-ethyl-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 91418845) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-1H-imidazol-5-one
PubChem CID91418845
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-ethyl-4,4-dimethyl-1H-imidazol-5-one
SMILESCCC1=NC(C)(C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-4-5-8-6(10)7(2,3)9-5/h4H2,1-3H3,(H,8,9,10)
InChIKeyDPWWSDXGVLOUFZ-UHFFFAOYSA-N
XLogP0.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-ethyl-4,4-dimethyl-1H-imidazol-5-one (CID 91418845) is 2-ethyl-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-ethyl-4,4-dimethyl-1H-imidazol-5-one is CCC1=NC(C)(C)C(=O)N1.
What is the InChIKey of 2-ethyl-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is DPWWSDXGVLOUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5-8-6(10)7(2,3)9-5/h4H2,1-3H3,(H,8,9,10).
What are the key properties of 2-ethyl-4,4-dimethyl-1H-imidazol-5-one?
2-ethyl-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 140.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 91418845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).