3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one

C10H15N3O — CID 91442192

IUPAC3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one
SMILESCc1cn(C(=O)C=CN(C)C)c(C)n1
InChIInChI=1S/C10H15N3O/c1-8-7-13(9(2)11-8)10(14)5-6-12(3)4/h5-7H,1-4H3
InChIKeyMJGLCEIFMGSFOX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.22
Rot. Bonds2

About 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one

3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one (PubChem CID 91442192) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one
PubChem CID91442192
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one
SMILESCc1cn(C(=O)C=CN(C)C)c(C)n1
InChIInChI=1S/C10H15N3O/c1-8-7-13(9(2)11-8)10(14)5-6-12(3)4/h5-7H,1-4H3
InChIKeyMJGLCEIFMGSFOX-UHFFFAOYSA-N
XLogP1.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one (CID 91442192) is 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one is Cc1cn(C(=O)C=CN(C)C)c(C)n1.
What is the InChIKey of 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one?
The InChIKey is MJGLCEIFMGSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-7-13(9(2)11-8)10(14)5-6-12(3)4/h5-7H,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2,4-dimethylimidazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 91442192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).