2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one

C9H14N2O — CID 170794448

IUPAC2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one
SMILESCCC1=NC(=C(C)C)C(=O)N1C
InChIInChI=1S/C9H14N2O/c1-5-7-10-8(6(2)3)9(12)11(7)4/h5H2,1-4H3
InChIKeyCPQWWDWMGWITEL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.56
Rot. Bonds1

About 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one

2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one (PubChem CID 170794448) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one.

Molecular Properties

Compound Name2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one
PubChem CID170794448
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one
SMILESCCC1=NC(=C(C)C)C(=O)N1C
InChIInChI=1S/C9H14N2O/c1-5-7-10-8(6(2)3)9(12)11(7)4/h5H2,1-4H3
InChIKeyCPQWWDWMGWITEL-UHFFFAOYSA-N
XLogP1.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropylidene-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one
CID 601153
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
3-[2-(Dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one
CID 129127184
3-[2-(Dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one
CID 129127197
6-Ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 132046289
2,3-Dimethyl-5-(methyliminomethylidene)imidazol-4-one
CID 138667028
2-Ethyl-5,6-dimethyl-3-propylpyrimidin-4-one
CID 141792048
2,3-Diethyl-5,6-dimethylpyrimidin-4-one;ethane
CID 141792053
3-[2-(Dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane
CID 145305118
ethane;(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
CID 145445213
(5Z)-5-butan-2-ylidene-2-ethyl-3-methylimidazol-4-one
CID 170794421
2,3-Dimethyl-5-propan-2-ylideneimidazol-4-one
CID 170794422

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one?
The IUPAC name of 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one (CID 170794448) is 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one.
What is the SMILES notation for 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one?
The canonical SMILES for 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one is CCC1=NC(=C(C)C)C(=O)N1C.
What is the InChIKey of 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one?
The InChIKey is CPQWWDWMGWITEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-7-10-8(6(2)3)9(12)11(7)4/h5H2,1-4H3.
What are the key properties of 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one?
2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one is sourced from PubChem (CID 170794448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).