5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole

C20H15N5O3 — CID 155528634

IUPAC5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole
SMILESCOc1ccc(/C=C(/c2ccc([N+](=O)[O-])cc2)c2nn[nH]n2)c2ccccc12
InChIInChI=1S/C20H15N5O3/c1-28-19-11-8-14(16-4-2-3-5-17(16)19)12-18(20-21-23-24-22-20)13-6-9-15(10-7-13)25(26)27/h2-12H,1H3,(H,21,22,23,24)/b18-12-
InChIKeySXFFBDXKSNRJKX-PDGQHHTCSA-N
MW373.37 g/mol
LogP3.86
Rot. Bonds5

About 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole

5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole (PubChem CID 155528634) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole
PubChem CID155528634
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole
SMILESCOc1ccc(/C=C(/c2ccc([N+](=O)[O-])cc2)c2nn[nH]n2)c2ccccc12
InChIInChI=1S/C20H15N5O3/c1-28-19-11-8-14(16-4-2-3-5-17(16)19)12-18(20-21-23-24-22-20)13-6-9-15(10-7-13)25(26)27/h2-12H,1H3,(H,21,22,23,24)/b18-12-
InChIKeySXFFBDXKSNRJKX-PDGQHHTCSA-N
XLogP3.86
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole?
The IUPAC name of 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole (CID 155528634) is 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole.
What is the SMILES notation for 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole?
The canonical SMILES for 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole is COc1ccc(/C=C(/c2ccc([N+](=O)[O-])cc2)c2nn[nH]n2)c2ccccc12.
What is the InChIKey of 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole?
The InChIKey is SXFFBDXKSNRJKX-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-28-19-11-8-14(16-4-2-3-5-17(16)19)12-18(20-21-23-24-22-20)13-6-9-15(10-7-13)25(26)27/h2-12H,1H3,(H,21,22,23,24)/b18-12-.
What are the key properties of 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole?
5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole has a molecular weight of 373.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-methoxynaphthalen-1-yl)-1-(4-nitrophenyl)ethenyl]-2H-tetrazole is sourced from PubChem (CID 155528634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).