ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten

C18H23N2W- — CID 157055981

IUPACethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten
SMILESC=C1C[C-](C)CC2=C1CC(c1ccccc1)=NN2.CC.[W]
InChIInChI=1S/C16H17N2.C2H6.W/c1-11-8-12(2)14-10-15(17-18-16(14)9-11)13-6-4-3-5-7-13;1-2;/h3-7,18H,2,8-10H2,1H3;1-2H3;/q-1;;
InChIKeyXASFVQDVJHWCNH-UHFFFAOYSA-N
MW451.24 g/mol
LogP4.61
Rot. Bonds1

About ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten

ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten (PubChem CID 157055981) has the molecular formula C18H23N2W- and a molecular weight of 451.24 g/mol. Its IUPAC name is ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten.

Molecular Properties

Compound Nameethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten
PubChem CID157055981
Molecular FormulaC18H23N2W-
Molecular Weight451.24 g/mol
Exact Mass451.14
IUPAC Nameethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten
SMILESC=C1C[C-](C)CC2=C1CC(c1ccccc1)=NN2.CC.[W]
InChIInChI=1S/C16H17N2.C2H6.W/c1-11-8-12(2)14-10-15(17-18-16(14)9-11)13-6-4-3-5-7-13;1-2;/h3-7,18H,2,8-10H2,1H3;1-2H3;/q-1;;
InChIKeyXASFVQDVJHWCNH-UHFFFAOYSA-N
XLogP4.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten?
The IUPAC name of ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten (CID 157055981) is ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten.
What is the SMILES notation for ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten?
The canonical SMILES for ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten is C=C1C[C-](C)CC2=C1CC(c1ccccc1)=NN2.CC.[W].
What is the InChIKey of ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten?
The InChIKey is XASFVQDVJHWCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N2.C2H6.W/c1-11-8-12(2)14-10-15(17-18-16(14)9-11)13-6-4-3-5-7-13;1-2;/h3-7,18H,2,8-10H2,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten?
ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten has a molecular weight of 451.24 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-5-methylidene-3-phenyl-1,4,6,8-tetrahydrocinnolin-7-ide;tungsten is sourced from PubChem (CID 157055981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).