(5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one

C13H13N3OSe — CID 127036942

IUPAC(5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccccn2)N=C1[Se]C
InChIInChI=1S/C13H13N3OSe/c1-3-8-16-12(17)11(15-13(16)18-2)9-10-6-4-5-7-14-10/h3-7,9H,1,8H2,2H3/b11-9-
InChIKeyOXIUYUFGUZOHAK-LUAWRHEFSA-N
MW306.23 g/mol
LogP1.56
Rot. Bonds4

About (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one

(5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one (PubChem CID 127036942) has the molecular formula C13H13N3OSe and a molecular weight of 306.23 g/mol. Its IUPAC name is (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
PubChem CID127036942
Molecular FormulaC13H13N3OSe
Molecular Weight306.23 g/mol
Exact Mass307.02
IUPAC Name(5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccccn2)N=C1[Se]C
InChIInChI=1S/C13H13N3OSe/c1-3-8-16-12(17)11(15-13(16)18-2)9-10-6-4-5-7-14-10/h3-7,9H,1,8H2,2H3/b11-9-
InChIKeyOXIUYUFGUZOHAK-LUAWRHEFSA-N
XLogP1.56
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one (CID 127036942) is (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one is C=CCN1C(=O)/C(=C/c2ccccn2)N=C1[Se]C.
What is the InChIKey of (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
The InChIKey is OXIUYUFGUZOHAK-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H13N3OSe/c1-3-8-16-12(17)11(15-13(16)18-2)9-10-6-4-5-7-14-10/h3-7,9H,1,8H2,2H3/b11-9-.
What are the key properties of (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
(5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one has a molecular weight of 306.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylselanyl-3-prop-2-enyl-5-(pyridin-2-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 127036942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).