3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one

C10H15N3O — CID 91609841

IUPAC3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one
SMILESCCc1nccn1C(=O)C=CN(C)C
InChIInChI=1S/C10H15N3O/c1-4-9-11-6-8-13(9)10(14)5-7-12(2)3/h5-8H,4H2,1-3H3
InChIKeyJECADMNZTUYKBX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds3

About 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one

3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one (PubChem CID 91609841) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one
PubChem CID91609841
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one
SMILESCCc1nccn1C(=O)C=CN(C)C
InChIInChI=1S/C10H15N3O/c1-4-9-11-6-8-13(9)10(14)5-7-12(2)3/h5-8H,4H2,1-3H3
InChIKeyJECADMNZTUYKBX-UHFFFAOYSA-N
XLogP1.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,N-dimethylimidazole-1-carboxamide
CID 110459897
1-(2-ethylimidazol-1-yl)propan-1-one
CID 110459273
3,3-bis(2-ethylimidazol-1-yl)prop-2-enal
CID 170945897
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
ethyl 2-(2-ethylimidazol-1-yl)-2-oxoacetate
CID 110461523
4-amino-1-(2-ethylimidazol-1-yl)butan-1-one
CID 110460746
(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 110462638
butyl 2-ethylimidazole-1-carboxylate
CID 154015301
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
CID 110463745
(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
1-(4-bromoimidazol-1-yl)-3-(dimethylamino)prop-2-en-1-one
CID 91542799

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one (CID 91609841) is 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one is CCc1nccn1C(=O)C=CN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one?
The InChIKey is JECADMNZTUYKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-9-11-6-8-13(9)10(14)5-7-12(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-ethylimidazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 91609841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).