5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole

C11H12N4 — CID 145152080

IUPAC5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole
SMILESC=C/C=C\C(=C)C(=C)n1nnnc1C=C
InChIInChI=1S/C11H12N4/c1-5-7-8-9(3)10(4)15-11(6-2)12-13-14-15/h5-8H,1-4H2/b8-7-
InChIKeyTUFQGLDHPQEHMJ-FPLPWBNLSA-N
MW200.24 g/mol
LogP2.09
Rot. Bonds5

About 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole

5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole (PubChem CID 145152080) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole.

Molecular Properties

Compound Name5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole
PubChem CID145152080
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole
SMILESC=C/C=C\C(=C)C(=C)n1nnnc1C=C
InChIInChI=1S/C11H12N4/c1-5-7-8-9(3)10(4)15-11(6-2)12-13-14-15/h5-8H,1-4H2/b8-7-
InChIKeyTUFQGLDHPQEHMJ-FPLPWBNLSA-N
XLogP2.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole?
The IUPAC name of 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole (CID 145152080) is 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole.
What is the SMILES notation for 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole?
The canonical SMILES for 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole is C=C/C=C\C(=C)C(=C)n1nnnc1C=C.
What is the InChIKey of 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole?
The InChIKey is TUFQGLDHPQEHMJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H12N4/c1-5-7-8-9(3)10(4)15-11(6-2)12-13-14-15/h5-8H,1-4H2/b8-7-.
What are the key properties of 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole?
5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole has a molecular weight of 200.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]tetrazole is sourced from PubChem (CID 145152080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).