2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine

C10H17N3 — CID 118549022

IUPAC2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine
SMILESNNCCC1C=CCC2NC=CC12
InChIInChI=1S/C10H17N3/c11-13-7-4-8-2-1-3-10-9(8)5-6-12-10/h1-2,5-6,8-10,12-13H,3-4,7,11H2
InChIKeyCXDUHRSXNFDZSX-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.52
Rot. Bonds3

About 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine

2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine (PubChem CID 118549022) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine.

Molecular Properties

Compound Name2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine
PubChem CID118549022
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine
SMILESNNCCC1C=CCC2NC=CC12
InChIInChI=1S/C10H17N3/c11-13-7-4-8-2-1-3-10-9(8)5-6-12-10/h1-2,5-6,8-10,12-13H,3-4,7,11H2
InChIKeyCXDUHRSXNFDZSX-UHFFFAOYSA-N
XLogP0.52
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine 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 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine?
The IUPAC name of 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine (CID 118549022) is 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine.
What is the SMILES notation for 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine?
The canonical SMILES for 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine is NNCCC1C=CCC2NC=CC12.
What is the InChIKey of 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine?
The InChIKey is CXDUHRSXNFDZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-13-7-4-8-2-1-3-10-9(8)5-6-12-10/h1-2,5-6,8-10,12-13H,3-4,7,11H2.
What are the key properties of 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine?
2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine has a molecular weight of 179.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,4,7,7a-tetrahydro-1H-indol-4-yl)ethylhydrazine is sourced from PubChem (CID 118549022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).