5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole

C19H18N4 — CID 141327839

IUPAC5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole
SMILESCC/C(=C\c1ccc(/C=C/c2nn[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C19H18N4/c1-2-17(18-6-4-3-5-7-18)14-16-10-8-15(9-11-16)12-13-19-20-22-23-21-19/h3-14H,2H2,1H3,(H,20,21,22,23)/b13-12+,17-14+
InChIKeyZRXOXPPGBLTITF-MIFVOYFBSA-N
MW302.38 g/mol
LogP4.32
Rot. Bonds5

About 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole

5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole (PubChem CID 141327839) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole
PubChem CID141327839
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole
SMILESCC/C(=C\c1ccc(/C=C/c2nn[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C19H18N4/c1-2-17(18-6-4-3-5-7-18)14-16-10-8-15(9-11-16)12-13-19-20-22-23-21-19/h3-14H,2H2,1H3,(H,20,21,22,23)/b13-12+,17-14+
InChIKeyZRXOXPPGBLTITF-MIFVOYFBSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
5-[2-phenyl-1-(2H-tetrazol-5-yl)ethenyl]-2H-tetrazole
CID 102235265
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
2-[4-[(E)-2-phenylethenyl]-6-(2H-tetrazol-5-ylamino)-1,3,5-triazin-2-yl]phenol
CID 135656924
2-[(Z)-1-phenylbut-1-en-2-yl]naphthalene
CID 58787072
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole?
The IUPAC name of 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole (CID 141327839) is 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole.
What is the SMILES notation for 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole?
The canonical SMILES for 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole is CC/C(=C\c1ccc(/C=C/c2nn[nH]n2)cc1)c1ccccc1.
What is the InChIKey of 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole?
The InChIKey is ZRXOXPPGBLTITF-MIFVOYFBSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-17(18-6-4-3-5-7-18)14-16-10-8-15(9-11-16)12-13-19-20-22-23-21-19/h3-14H,2H2,1H3,(H,20,21,22,23)/b13-12+,17-14+.
What are the key properties of 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole?
5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole has a molecular weight of 302.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[(E)-2-phenylbut-1-enyl]phenyl]ethenyl]-2H-tetrazole is sourced from PubChem (CID 141327839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).