7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole

C11H10N4 — CID 118665515

IUPAC7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole
SMILESC=CCc1ccc2c(c1)Cn1nnnc1-2
InChIInChI=1S/C11H10N4/c1-2-3-8-4-5-10-9(6-8)7-15-11(10)12-13-14-15/h2,4-6H,1,3,7H2
InChIKeyIOGSTNGITWYPJB-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.43
Rot. Bonds2

About 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole

7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole (PubChem CID 118665515) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole.

Molecular Properties

Compound Name7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole
PubChem CID118665515
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole
SMILESC=CCc1ccc2c(c1)Cn1nnnc1-2
InChIInChI=1S/C11H10N4/c1-2-3-8-4-5-10-9(6-8)7-15-11(10)12-13-14-15/h2,4-6H,1,3,7H2
InChIKeyIOGSTNGITWYPJB-UHFFFAOYSA-N
XLogP1.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 135212195
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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole?
The IUPAC name of 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole (CID 118665515) is 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole.
What is the SMILES notation for 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole?
The canonical SMILES for 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole is C=CCc1ccc2c(c1)Cn1nnnc1-2.
What is the InChIKey of 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole?
The InChIKey is IOGSTNGITWYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-3-8-4-5-10-9(6-8)7-15-11(10)12-13-14-15/h2,4-6H,1,3,7H2.
What are the key properties of 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole?
7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole has a molecular weight of 198.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-5H-tetrazolo[5,1-a]isoindole is sourced from PubChem (CID 118665515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).