1-[(E)-hex-3-en-3-yl]tetrazole

C7H12N4 — CID 156571989

IUPAC1-[(E)-hex-3-en-3-yl]tetrazole
SMILESCC/C=C(\CC)n1cnnn1
InChIInChI=1S/C7H12N4/c1-3-5-7(4-2)11-6-8-9-10-11/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyLAGWOLBFKLXFGX-FNORWQNLSA-N
MW152.20 g/mol
LogP1.33
Rot. Bonds3

About 1-[(E)-hex-3-en-3-yl]tetrazole

1-[(E)-hex-3-en-3-yl]tetrazole (PubChem CID 156571989) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-[(E)-hex-3-en-3-yl]tetrazole.

Molecular Properties

Compound Name1-[(E)-hex-3-en-3-yl]tetrazole
PubChem CID156571989
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-[(E)-hex-3-en-3-yl]tetrazole
SMILESCC/C=C(\CC)n1cnnn1
InChIInChI=1S/C7H12N4/c1-3-5-7(4-2)11-6-8-9-10-11/h5-6H,3-4H2,1-2H3/b7-5+
InChIKeyLAGWOLBFKLXFGX-FNORWQNLSA-N
XLogP1.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-3-en-3-yl]tetrazole?
The IUPAC name of 1-[(E)-hex-3-en-3-yl]tetrazole (CID 156571989) is 1-[(E)-hex-3-en-3-yl]tetrazole.
What is the SMILES notation for 1-[(E)-hex-3-en-3-yl]tetrazole?
The canonical SMILES for 1-[(E)-hex-3-en-3-yl]tetrazole is CC/C=C(\CC)n1cnnn1.
What is the InChIKey of 1-[(E)-hex-3-en-3-yl]tetrazole?
The InChIKey is LAGWOLBFKLXFGX-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-5-7(4-2)11-6-8-9-10-11/h5-6H,3-4H2,1-2H3/b7-5+.
What are the key properties of 1-[(E)-hex-3-en-3-yl]tetrazole?
1-[(E)-hex-3-en-3-yl]tetrazole has a molecular weight of 152.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-3-en-3-yl]tetrazole is sourced from PubChem (CID 156571989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).