2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine

C12H16N2 — CID 143815191

IUPAC2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine
SMILESC=CNCCC1Cc2ccccc2N1
InChIInChI=1S/C12H16N2/c1-2-13-8-7-11-9-10-5-3-4-6-12(10)14-11/h2-6,11,13-14H,1,7-9H2
InChIKeyAZAOLOOFBGJUOM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.15
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine

2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine (PubChem CID 143815191) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine
PubChem CID143815191
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine
SMILESC=CNCCC1Cc2ccccc2N1
InChIInChI=1S/C12H16N2/c1-2-13-8-7-11-9-10-5-3-4-6-12(10)14-11/h2-6,11,13-14H,1,7-9H2
InChIKeyAZAOLOOFBGJUOM-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine 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-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine (CID 143815191) is 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine is C=CNCCC1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine?
The InChIKey is AZAOLOOFBGJUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-13-8-7-11-9-10-5-3-4-6-12(10)14-11/h2-6,11,13-14H,1,7-9H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine?
2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine is sourced from PubChem (CID 143815191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).