(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one

C7H10N2O — CID 59996536

IUPAC(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
SMILESC/C=C1\N=C(C)N(C)C1=O
InChIInChI=1S/C7H10N2O/c1-4-6-7(10)9(3)5(2)8-6/h4H,1-3H3/b6-4-
InChIKeyCOIAEJLNKLBMSU-XQRVVYSFSA-N
MW138.17 g/mol
LogP0.78
Rot. Bonds

About (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one

(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one (PubChem CID 59996536) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
PubChem CID59996536
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one
SMILESC/C=C1\N=C(C)N(C)C1=O
InChIInChI=1S/C7H10N2O/c1-4-6-7(10)9(3)5(2)8-6/h4H,1-3H3/b6-4-
InChIKeyCOIAEJLNKLBMSU-XQRVVYSFSA-N
XLogP0.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
The IUPAC name of (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one (CID 59996536) is (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one.
What is the SMILES notation for (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
The canonical SMILES for (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one is C/C=C1\N=C(C)N(C)C1=O.
What is the InChIKey of (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
The InChIKey is COIAEJLNKLBMSU-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-6-7(10)9(3)5(2)8-6/h4H,1-3H3/b6-4-.
What are the key properties of (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one?
(5Z)-5-ethylidene-2,3-dimethylimidazol-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 59996536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).