3,4-dihydroindol-4-id-2-amine;tungsten

C8H7N2W2- — CID 58896515

IUPAC3,4-dihydroindol-4-id-2-amine;tungsten
SMILESNC1=Nc2ccc[c-]c2C1.[W].[W]
InChIInChI=1S/C8H7N2.2W/c9-8-5-6-3-1-2-4-7(6)10-8;;/h1-2,4H,5H2,(H2,9,10);;/q-1;;
InChIKeyWXBLXEKEDKHASZ-UHFFFAOYSA-N
MW498.84 g/mol
LogP1.03
Rot. Bonds

About 3,4-dihydroindol-4-id-2-amine;tungsten

3,4-dihydroindol-4-id-2-amine;tungsten (PubChem CID 58896515) has the molecular formula C8H7N2W2- and a molecular weight of 498.84 g/mol. Its IUPAC name is 3,4-dihydroindol-4-id-2-amine;tungsten.

Molecular Properties

Compound Name3,4-dihydroindol-4-id-2-amine;tungsten
PubChem CID58896515
Molecular FormulaC8H7N2W2-
Molecular Weight498.84 g/mol
Exact Mass498.96
IUPAC Name3,4-dihydroindol-4-id-2-amine;tungsten
SMILESNC1=Nc2ccc[c-]c2C1.[W].[W]
InChIInChI=1S/C8H7N2.2W/c9-8-5-6-3-1-2-4-7(6)10-8;;/h1-2,4H,5H2,(H2,9,10);;/q-1;;
InChIKeyWXBLXEKEDKHASZ-UHFFFAOYSA-N
XLogP1.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.84
LogP ≤ 51.03
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

7H-pyrrolo[2,3-c]pyridin-5-amine
CID 118514543
(5E)-4-methylidene-5-pentylidene-3H-pyrrol-2-amine
CID 141911912
(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine
CID 142219483
Cyclohepta[g]indol-2-amine
CID 153789055
4,5-bis(ethenyl)-3H-pyrrol-2-amine
CID 156305724
7,11-Diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine
CID 172543727
Cyclopenta[h][2]benzazepine-1,3-diamine
CID 172544503
2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole
CID 125421248

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroindol-4-id-2-amine;tungsten?
The IUPAC name of 3,4-dihydroindol-4-id-2-amine;tungsten (CID 58896515) is 3,4-dihydroindol-4-id-2-amine;tungsten.
What is the SMILES notation for 3,4-dihydroindol-4-id-2-amine;tungsten?
The canonical SMILES for 3,4-dihydroindol-4-id-2-amine;tungsten is NC1=Nc2ccc[c-]c2C1.[W].[W].
What is the InChIKey of 3,4-dihydroindol-4-id-2-amine;tungsten?
The InChIKey is WXBLXEKEDKHASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.2W/c9-8-5-6-3-1-2-4-7(6)10-8;;/h1-2,4H,5H2,(H2,9,10);;/q-1;;.
What are the key properties of 3,4-dihydroindol-4-id-2-amine;tungsten?
3,4-dihydroindol-4-id-2-amine;tungsten has a molecular weight of 498.84 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroindol-4-id-2-amine;tungsten is sourced from PubChem (CID 58896515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).