[(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten

C8H10NO2W- — CID 58879973

IUPAC[(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten
SMILES[H]/[C-]=C(/C=C\C(N)=[W])C(=O)OCC
InChIInChI=1S/C8H10NO2.W/c1-3-11-8(10)7(2)5-4-6-9;/h2,4-5H,3,9H2,1H3;/q-1;/b5-4-;
InChIKeyRYYNUHAOGDWEFS-MKWAYWHRSA-N
MW336.01 g/mol
LogP0.10
Rot. Bonds4

About [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten

[(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten (PubChem CID 58879973) has the molecular formula C8H10NO2W- and a molecular weight of 336.01 g/mol. Its IUPAC name is [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten
PubChem CID58879973
Molecular FormulaC8H10NO2W-
Molecular Weight336.01 g/mol
Exact Mass336.02
IUPAC Name[(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten
SMILES[H]/[C-]=C(/C=C\C(N)=[W])C(=O)OCC
InChIInChI=1S/C8H10NO2.W/c1-3-11-8(10)7(2)5-4-6-9;/h2,4-5H,3,9H2,1H3;/q-1;/b5-4-;
InChIKeyRYYNUHAOGDWEFS-MKWAYWHRSA-N
XLogP0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.01
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten (CID 58879973) is [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten is [H]/[C-]=C(/C=C\C(N)=[W])C(=O)OCC.
What is the InChIKey of [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten?
The InChIKey is RYYNUHAOGDWEFS-MKWAYWHRSA-N. The full InChI is InChI=1S/C8H10NO2.W/c1-3-11-8(10)7(2)5-4-6-9;/h2,4-5H,3,9H2,1H3;/q-1;/b5-4-;.
What are the key properties of [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten?
[(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten has a molecular weight of 336.01 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-1-amino-4-ethoxycarbonylpenta-2,4-dienylidene]tungsten is sourced from PubChem (CID 58879973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).