5-but-3-enyl-1-cyclohexyltetrazole

C11H18N4 — CID 23560832

IUPAC5-but-3-enyl-1-cyclohexyltetrazole
SMILESC=CCCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H18N4/c1-2-3-9-11-12-13-14-15(11)10-7-5-4-6-8-10/h2,10H,1,3-9H2
InChIKeyMGXDUOBCVZIUKE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.30
Rot. Bonds4

About 5-but-3-enyl-1-cyclohexyltetrazole

5-but-3-enyl-1-cyclohexyltetrazole (PubChem CID 23560832) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-but-3-enyl-1-cyclohexyltetrazole.

Molecular Properties

Compound Name5-but-3-enyl-1-cyclohexyltetrazole
PubChem CID23560832
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-but-3-enyl-1-cyclohexyltetrazole
SMILESC=CCCc1nnnn1C1CCCCC1
InChIInChI=1S/C11H18N4/c1-2-3-9-11-12-13-14-15(11)10-7-5-4-6-8-10/h2,10H,1,3-9H2
InChIKeyMGXDUOBCVZIUKE-UHFFFAOYSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-1-cyclohexyltetrazole?
The IUPAC name of 5-but-3-enyl-1-cyclohexyltetrazole (CID 23560832) is 5-but-3-enyl-1-cyclohexyltetrazole.
What is the SMILES notation for 5-but-3-enyl-1-cyclohexyltetrazole?
The canonical SMILES for 5-but-3-enyl-1-cyclohexyltetrazole is C=CCCc1nnnn1C1CCCCC1.
What is the InChIKey of 5-but-3-enyl-1-cyclohexyltetrazole?
The InChIKey is MGXDUOBCVZIUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-3-9-11-12-13-14-15(11)10-7-5-4-6-8-10/h2,10H,1,3-9H2.
What are the key properties of 5-but-3-enyl-1-cyclohexyltetrazole?
5-but-3-enyl-1-cyclohexyltetrazole has a molecular weight of 206.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-1-cyclohexyltetrazole is sourced from PubChem (CID 23560832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).