3-(3-azidopropyl)-1H-indene

C12H13N3 — CID 10845690

IUPAC3-(3-azidopropyl)-1H-indene
SMILES[N-]=[N+]=NCCCC1=CCc2ccccc21
InChIInChI=1S/C12H13N3/c13-15-14-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,8H,3,5,7,9H2
InChIKeyPPSFMRHAROGBET-UHFFFAOYSA-N
MW199.26 g/mol
LogP3.72
Rot. Bonds4

About 3-(3-azidopropyl)-1H-indene

3-(3-azidopropyl)-1H-indene (PubChem CID 10845690) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-(3-azidopropyl)-1H-indene.

Molecular Properties

Compound Name3-(3-azidopropyl)-1H-indene
PubChem CID10845690
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-(3-azidopropyl)-1H-indene
SMILES[N-]=[N+]=NCCCC1=CCc2ccccc21
InChIInChI=1S/C12H13N3/c13-15-14-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,8H,3,5,7,9H2
InChIKeyPPSFMRHAROGBET-UHFFFAOYSA-N
XLogP3.72
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-azidopropyl)-1H-indene?
The IUPAC name of 3-(3-azidopropyl)-1H-indene (CID 10845690) is 3-(3-azidopropyl)-1H-indene.
What is the SMILES notation for 3-(3-azidopropyl)-1H-indene?
The canonical SMILES for 3-(3-azidopropyl)-1H-indene is [N-]=[N+]=NCCCC1=CCc2ccccc21.
What is the InChIKey of 3-(3-azidopropyl)-1H-indene?
The InChIKey is PPSFMRHAROGBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-15-14-9-3-5-11-8-7-10-4-1-2-6-12(10)11/h1-2,4,6,8H,3,5,7,9H2.
What are the key properties of 3-(3-azidopropyl)-1H-indene?
3-(3-azidopropyl)-1H-indene has a molecular weight of 199.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidopropyl)-1H-indene is sourced from PubChem (CID 10845690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).