1-(2-ethylimidazol-1-yl)propan-1-one

C8H12N2O — CID 110459273

IUPAC1-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCC(=O)n1ccnc1CC
InChIInChI=1S/C8H12N2O/c1-3-7-9-5-6-10(7)8(11)4-2/h5-6H,3-4H2,1-2H3
InChIKeyCJHNQGFWZYTONR-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.50
Rot. Bonds2

About 1-(2-ethylimidazol-1-yl)propan-1-one

1-(2-ethylimidazol-1-yl)propan-1-one (PubChem CID 110459273) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(2-ethylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethylimidazol-1-yl)propan-1-one
PubChem CID110459273
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCC(=O)n1ccnc1CC
InChIInChI=1S/C8H12N2O/c1-3-7-9-5-6-10(7)8(11)4-2/h5-6H,3-4H2,1-2H3
InChIKeyCJHNQGFWZYTONR-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-ethylimidazol-1-yl)butan-1-one
CID 110460746
2-ethyl-N,N-dimethylimidazole-1-carboxamide
CID 110459897
ethyl 2-(2-ethylimidazol-1-yl)-2-oxoacetate
CID 110461523
3,3-bis(2-ethylimidazol-1-yl)prop-2-enal
CID 170945897
(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 110462638
butyl 2-ethylimidazole-1-carboxylate
CID 154015301
3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one
CID 91609841
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one
CID 174454423
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831
1-(2-azidoimidazol-1-yl)propan-1-one
CID 71388137
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
CID 110463745

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(2-ethylimidazol-1-yl)propan-1-one (CID 110459273) is 1-(2-ethylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2-ethylimidazol-1-yl)propan-1-one is CCC(=O)n1ccnc1CC.
What is the InChIKey of 1-(2-ethylimidazol-1-yl)propan-1-one?
The InChIKey is CJHNQGFWZYTONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-9-5-6-10(7)8(11)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethylimidazol-1-yl)propan-1-one?
1-(2-ethylimidazol-1-yl)propan-1-one has a molecular weight of 152.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 110459273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).