1-(2-cyclobutylideneethyl)-5-ethyltetrazole

C9H14N4 — CID 130666951

IUPAC1-(2-cyclobutylideneethyl)-5-ethyltetrazole
SMILESCCc1nnnn1CC=C1CCC1
InChIInChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)7-6-8-4-3-5-8/h6H,2-5,7H2,1H3
InChIKeyFSZXZHUCIXRHAB-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-cyclobutylideneethyl)-5-ethyltetrazole

1-(2-cyclobutylideneethyl)-5-ethyltetrazole (PubChem CID 130666951) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(2-cyclobutylideneethyl)-5-ethyltetrazole.

Molecular Properties

Compound Name1-(2-cyclobutylideneethyl)-5-ethyltetrazole
PubChem CID130666951
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(2-cyclobutylideneethyl)-5-ethyltetrazole
SMILESCCc1nnnn1CC=C1CCC1
InChIInChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)7-6-8-4-3-5-8/h6H,2-5,7H2,1H3
InChIKeyFSZXZHUCIXRHAB-UHFFFAOYSA-N
XLogP1.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.35
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 1-(2-cyclobutylideneethyl)-5-ethyltetrazole?
The IUPAC name of 1-(2-cyclobutylideneethyl)-5-ethyltetrazole (CID 130666951) is 1-(2-cyclobutylideneethyl)-5-ethyltetrazole.
What is the SMILES notation for 1-(2-cyclobutylideneethyl)-5-ethyltetrazole?
The canonical SMILES for 1-(2-cyclobutylideneethyl)-5-ethyltetrazole is CCc1nnnn1CC=C1CCC1.
What is the InChIKey of 1-(2-cyclobutylideneethyl)-5-ethyltetrazole?
The InChIKey is FSZXZHUCIXRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-9-10-11-12-13(9)7-6-8-4-3-5-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-(2-cyclobutylideneethyl)-5-ethyltetrazole?
1-(2-cyclobutylideneethyl)-5-ethyltetrazole has a molecular weight of 178.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylideneethyl)-5-ethyltetrazole is sourced from PubChem (CID 130666951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).