3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile

C10H8N4 — CID 137083935

IUPAC3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2ccccc2c1/C=N/N
InChIInChI=1S/C10H8N4/c11-5-10-8(6-13-12)7-3-1-2-4-9(7)14-10/h1-4,6,14H,12H2/b13-6+
InChIKeyUWBRFJKHMFKBRV-AWNIVKPZSA-N
MW184.20 g/mol
LogP1.33
Rot. Bonds1

About 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile

3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile (PubChem CID 137083935) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile
PubChem CID137083935
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2ccccc2c1/C=N/N
InChIInChI=1S/C10H8N4/c11-5-10-8(6-13-12)7-3-1-2-4-9(7)14-10/h1-4,6,14H,12H2/b13-6+
InChIKeyUWBRFJKHMFKBRV-AWNIVKPZSA-N
XLogP1.33
TPSA77.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile 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 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile?
The IUPAC name of 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile (CID 137083935) is 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile.
What is the SMILES notation for 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile?
The canonical SMILES for 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile is N#Cc1[nH]c2ccccc2c1/C=N/N.
What is the InChIKey of 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile?
The InChIKey is UWBRFJKHMFKBRV-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H8N4/c11-5-10-8(6-13-12)7-3-1-2-4-9(7)14-10/h1-4,6,14H,12H2/b13-6+.
What are the key properties of 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile?
3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hydrazinylidenemethyl]-1H-indole-2-carbonitrile is sourced from PubChem (CID 137083935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).