5-(3-azidoprop-1-enyl)-1H-indole

C11H10N4 — CID 169461878

IUPAC5-(3-azidoprop-1-enyl)-1H-indole
SMILES[N-]=[N+]=NCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H10N4/c12-15-14-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-5,7-8,13H,6H2
InChIKeyRTVBYLBVTBJZQA-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.49
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-1H-indole

5-(3-azidoprop-1-enyl)-1H-indole (PubChem CID 169461878) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-1H-indole.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-1H-indole
PubChem CID169461878
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name5-(3-azidoprop-1-enyl)-1H-indole
SMILES[N-]=[N+]=NCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C11H10N4/c12-15-14-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-5,7-8,13H,6H2
InChIKeyRTVBYLBVTBJZQA-UHFFFAOYSA-N
XLogP3.49
TPSA64.55 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
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

(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
CID 117276942
S-[3-(1H-indol-5-yl)prop-2-enyl] ethanethioate
CID 169457351
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
5-(3-azidoprop-1-enyl)-1-benzofuran
CID 169461862
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile
CID 169461754
5-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 135043581
5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
CID 89272280
5-(2-pyridin-4-ylethenyl)-1H-indole
CID 54050993

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-1H-indole?
The IUPAC name of 5-(3-azidoprop-1-enyl)-1H-indole (CID 169461878) is 5-(3-azidoprop-1-enyl)-1H-indole.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-1H-indole?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-1H-indole is [N-]=[N+]=NCC=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-1H-indole?
The InChIKey is RTVBYLBVTBJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-15-14-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h1-5,7-8,13H,6H2.
What are the key properties of 5-(3-azidoprop-1-enyl)-1H-indole?
5-(3-azidoprop-1-enyl)-1H-indole has a molecular weight of 198.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-1H-indole is sourced from PubChem (CID 169461878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).