carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)

C12H20N2W — CID 58578320

IUPACcarbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)
SMILESCC1=C(C)N=C(C2CC[N-]CC2)C1.[CH3-].[W+2]
InChIInChI=1S/C11H17N2.CH3.W/c1-8-7-11(13-9(8)2)10-3-5-12-6-4-10;;/h10H,3-7H2,1-2H3;1H3;/q2*-1;+2
InChIKeyXQNADFPPDUXBGY-UHFFFAOYSA-N
MW376.15 g/mol
LogP3.36
Rot. Bonds1

About carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)

carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+) (PubChem CID 58578320) has the molecular formula C12H20N2W and a molecular weight of 376.15 g/mol. Its IUPAC name is carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)
PubChem CID58578320
Molecular FormulaC12H20N2W
Molecular Weight376.15 g/mol
Exact Mass376.11
IUPAC Namecarbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)
SMILESCC1=C(C)N=C(C2CC[N-]CC2)C1.[CH3-].[W+2]
InChIInChI=1S/C11H17N2.CH3.W/c1-8-7-11(13-9(8)2)10-3-5-12-6-4-10;;/h10H,3-7H2,1-2H3;1H3;/q2*-1;+2
InChIKeyXQNADFPPDUXBGY-UHFFFAOYSA-N
XLogP3.36
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)?
The IUPAC name of carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+) (CID 58578320) is carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+).
What is the SMILES notation for carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)?
The canonical SMILES for carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+) is CC1=C(C)N=C(C2CC[N-]CC2)C1.[CH3-].[W+2].
What is the InChIKey of carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)?
The InChIKey is XQNADFPPDUXBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2.CH3.W/c1-8-7-11(13-9(8)2)10-3-5-12-6-4-10;;/h10H,3-7H2,1-2H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)?
carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+) has a molecular weight of 376.15 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+) is sourced from PubChem (CID 58578320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).