(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one

C16H10N4O2 — CID 155934770

IUPAC(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3nn[nH]n3)cc2)Oc2ccccc21
InChIInChI=1S/C16H10N4O2/c21-15-12-3-1-2-4-13(12)22-14(15)9-10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)/b14-9-
InChIKeyCGQVJHSWFMSZHW-ZROIWOOFSA-N
MW290.28 g/mol
LogP2.48
Rot. Bonds2

About (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one

(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one (PubChem CID 155934770) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
PubChem CID155934770
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3nn[nH]n3)cc2)Oc2ccccc21
InChIInChI=1S/C16H10N4O2/c21-15-12-3-1-2-4-13(12)22-14(15)9-10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)/b14-9-
InChIKeyCGQVJHSWFMSZHW-ZROIWOOFSA-N
XLogP2.48
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1h-Tetrazol-5-Yl)phenyl]-4h-Chromen-4-One
CID 46742374
1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone
CID 131955090
methyl 4-{[4-(1H-tetrazol-5-yl)phenoxy]methyl}benzoate
CID 714070
1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
2-methyl-6-(2H-tetrazol-5-yl)xanthen-9-one
CID 44531241
(2Z)-3-oxo-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155524058
(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155529239
(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155538039
(2Z)-2-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155541447
(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155541970
1-(2-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)propane-1,3-dione
CID 71814295
2-phenyl-6-(2H-tetrazol-5-yl)chromen-4-one
CID 2817492

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one (CID 155934770) is (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccc(-c3nn[nH]n3)cc2)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one?
The InChIKey is CGQVJHSWFMSZHW-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H10N4O2/c21-15-12-3-1-2-4-13(12)22-14(15)9-10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)/b14-9-.
What are the key properties of (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one?
(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one has a molecular weight of 290.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 155934770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).