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

C8H13N3O — CID 154700593

IUPAC(5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one
SMILESCC1=N/C(=C\N(C)C)C(=O)N1C
InChIInChI=1S/C8H13N3O/c1-6-9-7(5-10(2)3)8(12)11(6)4/h5H,1-4H3/b7-5-
InChIKeyVWDRWARGVPJQBM-ALCCZGGFSA-N
MW167.21 g/mol
LogP0.28
Rot. Bonds1

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

(5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one (PubChem CID 154700593) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one
PubChem CID154700593
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one
SMILESCC1=N/C(=C\N(C)C)C(=O)N1C
InChIInChI=1S/C8H13N3O/c1-6-9-7(5-10(2)3)8(12)11(6)4/h5H,1-4H3/b7-5-
InChIKeyVWDRWARGVPJQBM-ALCCZGGFSA-N
XLogP0.28
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one (CID 154700593) is (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one is CC1=N/C(=C\N(C)C)C(=O)N1C.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one?
The InChIKey is VWDRWARGVPJQBM-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-9-7(5-10(2)3)8(12)11(6)4/h5H,1-4H3/b7-5-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one?
(5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 154700593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).