3-(2-azidoethyl)-1H-indene

C11H11N3 — CID 151053192

IUPAC3-(2-azidoethyl)-1H-indene
SMILES[N-]=[N+]=NCCC1=CCc2ccccc21
InChIInChI=1S/C11H11N3/c12-14-13-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,6H,5,7-8H2
InChIKeyMEOGVZPQNCUYNJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP3.33
Rot. Bonds3

About 3-(2-azidoethyl)-1H-indene

3-(2-azidoethyl)-1H-indene (PubChem CID 151053192) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(2-azidoethyl)-1H-indene.

Molecular Properties

Compound Name3-(2-azidoethyl)-1H-indene
PubChem CID151053192
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-(2-azidoethyl)-1H-indene
SMILES[N-]=[N+]=NCCC1=CCc2ccccc21
InChIInChI=1S/C11H11N3/c12-14-13-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,6H,5,7-8H2
InChIKeyMEOGVZPQNCUYNJ-UHFFFAOYSA-N
XLogP3.33
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-(2-azidoethyl)-1H-indene with MolForge

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

Launch Full Analysis

Related Compounds

2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560
3-but-3-enyl-1H-indene
CID 15878391
3-(2-cyclopropylethyl)-1H-indene
CID 163857034
3-(chloromethyl)-1H-indene
CID 55301076
1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
dichlorozirconium;3-propyl-1H-indene
CID 175084745
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
3-(2-bromopropyl)-1H-indene
CID 23559641
3H-inden-1-ylmethyl(diphenyl)phosphane
CID 102218742
3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
CID 123755719
3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 129304045
acetic acid;3H-inden-1-ylmethanol
CID 71363289

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethyl)-1H-indene?
The IUPAC name of 3-(2-azidoethyl)-1H-indene (CID 151053192) is 3-(2-azidoethyl)-1H-indene.
What is the SMILES notation for 3-(2-azidoethyl)-1H-indene?
The canonical SMILES for 3-(2-azidoethyl)-1H-indene is [N-]=[N+]=NCCC1=CCc2ccccc21.
What is the InChIKey of 3-(2-azidoethyl)-1H-indene?
The InChIKey is MEOGVZPQNCUYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-14-13-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,6H,5,7-8H2.
What are the key properties of 3-(2-azidoethyl)-1H-indene?
3-(2-azidoethyl)-1H-indene has a molecular weight of 185.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethyl)-1H-indene is sourced from PubChem (CID 151053192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).