1-azido-2,3-dihydroindole

C8H8N4 — CID 54253401

IUPAC1-azido-2,3-dihydroindole
SMILES[N-]=[N+]=NN1CCc2ccccc21
InChIInChI=1S/C8H8N4/c9-10-11-12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyQYIQMZQXBIXDKM-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.27
Rot. Bonds1

About 1-azido-2,3-dihydroindole

1-azido-2,3-dihydroindole (PubChem CID 54253401) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-azido-2,3-dihydroindole.

Molecular Properties

Compound Name1-azido-2,3-dihydroindole
PubChem CID54253401
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-azido-2,3-dihydroindole
SMILES[N-]=[N+]=NN1CCc2ccccc21
InChIInChI=1S/C8H8N4/c9-10-11-12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKeyQYIQMZQXBIXDKM-UHFFFAOYSA-N
XLogP2.27
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.27
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'}

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Related Compounds

2,3-dihydroindol-1-amine;dihydrochloride
CID 172716948
1-(4-azido-2,3-dimethylbutan-2-yl)-2,3-dihydroindole
CID 141240555
N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
CID 165346469
3-azido-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 166010085
2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene
CID 123789337
2,3-dihydroindol-1-ylsilane
CID 149251229
1-azidoazetidin-2-one
CID 70471446
2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane
CID 20650007
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine
CID 12914611
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
CID 12023374

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,3-dihydroindole?
The IUPAC name of 1-azido-2,3-dihydroindole (CID 54253401) is 1-azido-2,3-dihydroindole.
What is the SMILES notation for 1-azido-2,3-dihydroindole?
The canonical SMILES for 1-azido-2,3-dihydroindole is [N-]=[N+]=NN1CCc2ccccc21.
What is the InChIKey of 1-azido-2,3-dihydroindole?
The InChIKey is QYIQMZQXBIXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-10-11-12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2.
What are the key properties of 1-azido-2,3-dihydroindole?
1-azido-2,3-dihydroindole has a molecular weight of 160.18 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,3-dihydroindole is sourced from PubChem (CID 54253401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).