(4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten

C12H17NW5-2 — CID 59616727

IUPAC(4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten
SMILESCC(C)[C-]=[W].[H]/[C-]=C1\CC(C(C)C)=NC1=[W].[W].[W].[W]
InChIInChI=1S/C8H10N.C4H7.5W/c1-6(2)8-4-7(3)5-9-8;1-4(2)3;;;;;/h3,6H,4H2,1-2H3;4H,1-2H3;;;;;/q2*-1;;;;;
InChIKeyZGFOWPQEWAJPNA-UHFFFAOYSA-N
MW1094.47 g/mol
LogP2.38
Rot. Bonds2

About (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten

(4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten (PubChem CID 59616727) has the molecular formula C12H17NW5-2 and a molecular weight of 1094.47 g/mol. Its IUPAC name is (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten.

Molecular Properties

Compound Name(4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten
PubChem CID59616727
Molecular FormulaC12H17NW5-2
Molecular Weight1094.47 g/mol
Exact Mass1094.89
IUPAC Name(4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten
SMILESCC(C)[C-]=[W].[H]/[C-]=C1\CC(C(C)C)=NC1=[W].[W].[W].[W]
InChIInChI=1S/C8H10N.C4H7.5W/c1-6(2)8-4-7(3)5-9-8;1-4(2)3;;;;;/h3,6H,4H2,1-2H3;4H,1-2H3;;;;;/q2*-1;;;;;
InChIKeyZGFOWPQEWAJPNA-UHFFFAOYSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001094.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten?
The IUPAC name of (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten (CID 59616727) is (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten.
What is the SMILES notation for (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten?
The canonical SMILES for (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten is CC(C)[C-]=[W].[H]/[C-]=C1\CC(C(C)C)=NC1=[W].[W].[W].[W].
What is the InChIKey of (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten?
The InChIKey is ZGFOWPQEWAJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.C4H7.5W/c1-6(2)8-4-7(3)5-9-8;1-4(2)3;;;;;/h3,6H,4H2,1-2H3;4H,1-2H3;;;;;/q2*-1;;;;;.
What are the key properties of (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten?
(4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten has a molecular weight of 1094.47 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanidylidene-2-propan-2-yl-3H-pyrrol-5-ylidene)tungsten;2-methylpropylidenetungsten;tungsten is sourced from PubChem (CID 59616727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).