[(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten

C12H17NOW — CID 58467520

IUPAC[(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten
SMILESCC(C)/C(C=[W])=C/C1=CN(C)C(=O)CC1
InChIInChI=1S/C12H17NO.W/c1-9(2)10(3)7-11-5-6-12(14)13(4)8-11;/h3,7-9H,5-6H2,1-2,4H3;/b10-7+;
InChIKeyBAAUAEFYUPKQFE-HCUGZAAXSA-N
MW375.11 g/mol
LogP2.05
Rot. Bonds3

About [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten

[(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten (PubChem CID 58467520) has the molecular formula C12H17NOW and a molecular weight of 375.11 g/mol. Its IUPAC name is [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten
PubChem CID58467520
Molecular FormulaC12H17NOW
Molecular Weight375.11 g/mol
Exact Mass375.08
IUPAC Name[(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten
SMILESCC(C)/C(C=[W])=C/C1=CN(C)C(=O)CC1
InChIInChI=1S/C12H17NO.W/c1-9(2)10(3)7-11-5-6-12(14)13(4)8-11;/h3,7-9H,5-6H2,1-2,4H3;/b10-7+;
InChIKeyBAAUAEFYUPKQFE-HCUGZAAXSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten?
The IUPAC name of [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten (CID 58467520) is [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten.
What is the SMILES notation for [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten?
The canonical SMILES for [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten is CC(C)/C(C=[W])=C/C1=CN(C)C(=O)CC1.
What is the InChIKey of [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten?
The InChIKey is BAAUAEFYUPKQFE-HCUGZAAXSA-N. The full InChI is InChI=1S/C12H17NO.W/c1-9(2)10(3)7-11-5-6-12(14)13(4)8-11;/h3,7-9H,5-6H2,1-2,4H3;/b10-7+;.
What are the key properties of [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten?
[(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten has a molecular weight of 375.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-methyl-2-[(1-methyl-2-oxo-3,4-dihydropyridin-5-yl)methylidene]butylidene]tungsten is sourced from PubChem (CID 58467520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).