1-(2-prop-2-enyltetrazol-5-yl)indole

C12H11N5 — CID 10933146

IUPAC1-(2-prop-2-enyltetrazol-5-yl)indole
SMILESC=CCn1nnc(-n2ccc3ccccc32)n1
InChIInChI=1S/C12H11N5/c1-2-8-17-14-12(13-15-17)16-9-7-10-5-3-4-6-11(10)16/h2-7,9H,1,8H2
InChIKeyREHXSVPSSFUOIK-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-prop-2-enyltetrazol-5-yl)indole

1-(2-prop-2-enyltetrazol-5-yl)indole (PubChem CID 10933146) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(2-prop-2-enyltetrazol-5-yl)indole.

Molecular Properties

Compound Name1-(2-prop-2-enyltetrazol-5-yl)indole
PubChem CID10933146
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name1-(2-prop-2-enyltetrazol-5-yl)indole
SMILESC=CCn1nnc(-n2ccc3ccccc32)n1
InChIInChI=1S/C12H11N5/c1-2-8-17-14-12(13-15-17)16-9-7-10-5-3-4-6-11(10)16/h2-7,9H,1,8H2
InChIKeyREHXSVPSSFUOIK-UHFFFAOYSA-N
XLogP1.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10108730
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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enyltetrazol-5-yl)indole?
The IUPAC name of 1-(2-prop-2-enyltetrazol-5-yl)indole (CID 10933146) is 1-(2-prop-2-enyltetrazol-5-yl)indole.
What is the SMILES notation for 1-(2-prop-2-enyltetrazol-5-yl)indole?
The canonical SMILES for 1-(2-prop-2-enyltetrazol-5-yl)indole is C=CCn1nnc(-n2ccc3ccccc32)n1.
What is the InChIKey of 1-(2-prop-2-enyltetrazol-5-yl)indole?
The InChIKey is REHXSVPSSFUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-2-8-17-14-12(13-15-17)16-9-7-10-5-3-4-6-11(10)16/h2-7,9H,1,8H2.
What are the key properties of 1-(2-prop-2-enyltetrazol-5-yl)indole?
1-(2-prop-2-enyltetrazol-5-yl)indole has a molecular weight of 225.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enyltetrazol-5-yl)indole is sourced from PubChem (CID 10933146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).