2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane

C12H21NW-2 — CID 18711308

IUPAC2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane
SMILESC=C1CC(C)[N-]C=C1C.C=[W].[CH2-]CC
InChIInChI=1S/C8H12N.C3H7.CH2.W/c1-6-4-8(3)9-5-7(6)2;1-3-2;;/h5,8H,1,4H2,2-3H3;1,3H2,2H3;1H2;/q2*-1;;
InChIKeyBXJOBPZGSOXWNO-UHFFFAOYSA-N
MW363.15 g/mol
LogP3.81
Rot. Bonds

About 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane

2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane (PubChem CID 18711308) has the molecular formula C12H21NW-2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane.

Molecular Properties

Compound Name2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane
PubChem CID18711308
Molecular FormulaC12H21NW-2
Molecular Weight363.15 g/mol
Exact Mass363.12
IUPAC Name2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane
SMILESC=C1CC(C)[N-]C=C1C.C=[W].[CH2-]CC
InChIInChI=1S/C8H12N.C3H7.CH2.W/c1-6-4-8(3)9-5-7(6)2;1-3-2;;/h5,8H,1,4H2,2-3H3;1,3H2,2H3;1H2;/q2*-1;;
InChIKeyBXJOBPZGSOXWNO-UHFFFAOYSA-N
XLogP3.81
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane?
The IUPAC name of 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane (CID 18711308) is 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane.
What is the SMILES notation for 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane?
The canonical SMILES for 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane is C=C1CC(C)[N-]C=C1C.C=[W].[CH2-]CC.
What is the InChIKey of 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane?
The InChIKey is BXJOBPZGSOXWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.C3H7.CH2.W/c1-6-4-8(3)9-5-7(6)2;1-3-2;;/h5,8H,1,4H2,2-3H3;1,3H2,2H3;1H2;/q2*-1;;.
What are the key properties of 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane?
2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane has a molecular weight of 363.15 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-methylidene-2,3-dihydropyridin-1-ide;methylidenetungsten;propane is sourced from PubChem (CID 18711308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).