1-(4-methylpent-2-enylideneamino)ethylidenetungsten

C8H12NW- — CID 58931175

IUPAC1-(4-methylpent-2-enylideneamino)ethylidenetungsten
SMILESCC(=[W])/N=C\C=[C-]\C(C)C
InChIInChI=1S/C8H12N.W/c1-4-9-7-5-6-8(2)3;/h5,7-8H,1-3H3;/q-1;
InChIKeySGSADZWBPNFIPI-UHFFFAOYSA-N
MW306.03 g/mol
LogP1.77
Rot. Bonds3

About 1-(4-methylpent-2-enylideneamino)ethylidenetungsten

1-(4-methylpent-2-enylideneamino)ethylidenetungsten (PubChem CID 58931175) has the molecular formula C8H12NW- and a molecular weight of 306.03 g/mol. Its IUPAC name is 1-(4-methylpent-2-enylideneamino)ethylidenetungsten.

Molecular Properties

Compound Name1-(4-methylpent-2-enylideneamino)ethylidenetungsten
PubChem CID58931175
Molecular FormulaC8H12NW-
Molecular Weight306.03 g/mol
Exact Mass306.05
IUPAC Name1-(4-methylpent-2-enylideneamino)ethylidenetungsten
SMILESCC(=[W])/N=C\C=[C-]\C(C)C
InChIInChI=1S/C8H12N.W/c1-4-9-7-5-6-8(2)3;/h5,7-8H,1-3H3;/q-1;
InChIKeySGSADZWBPNFIPI-UHFFFAOYSA-N
XLogP1.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
3,3-Dimethylpyridine
CID 129722078
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
5-Fluoro-3-methyl-2,3-dihydropyridine
CID 143818517
3-fluoro-3-methyl-2H-pyridine
CID 153958627
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
3-Methyl-2,3-dihydropyridine
CID 21471736
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
3-Ethyl-2,3-dihydropyridine
CID 54500796
4-ethyl-3H-pyridin-1-ium
CID 57069591
4-propan-2-yl-3H-pyridin-1-ium
CID 57080011
5-Methyl-2,5-dihydropyridine
CID 57146774

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-2-enylideneamino)ethylidenetungsten?
The IUPAC name of 1-(4-methylpent-2-enylideneamino)ethylidenetungsten (CID 58931175) is 1-(4-methylpent-2-enylideneamino)ethylidenetungsten.
What is the SMILES notation for 1-(4-methylpent-2-enylideneamino)ethylidenetungsten?
The canonical SMILES for 1-(4-methylpent-2-enylideneamino)ethylidenetungsten is CC(=[W])/N=C\C=[C-]\C(C)C.
What is the InChIKey of 1-(4-methylpent-2-enylideneamino)ethylidenetungsten?
The InChIKey is SGSADZWBPNFIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.W/c1-4-9-7-5-6-8(2)3;/h5,7-8H,1-3H3;/q-1;.
What are the key properties of 1-(4-methylpent-2-enylideneamino)ethylidenetungsten?
1-(4-methylpent-2-enylideneamino)ethylidenetungsten has a molecular weight of 306.03 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-2-enylideneamino)ethylidenetungsten is sourced from PubChem (CID 58931175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).