(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium

C17H17N2O5+ — CID 10711351

IUPAC(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
SMILESC=CCCCOC(=O)c1oc2ccccc2c1/C([N+]#N)=C(\O)OC
InChIInChI=1S/C17H16N2O5/c1-3-4-7-10-23-17(21)15-13(14(19-18)16(20)22-2)11-8-5-6-9-12(11)24-15/h3,5-6,8-9H,1,4,7,10H2,2H3/p+1
InChIKeyJMHNMABTFPIBNF-UHFFFAOYSA-O
MW329.33 g/mol
LogP4.24
Rot. Bonds7

About (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium

(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium (PubChem CID 10711351) has the molecular formula C17H17N2O5+ and a molecular weight of 329.33 g/mol. Its IUPAC name is (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium.

Molecular Properties

Compound Name(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
PubChem CID10711351
Molecular FormulaC17H17N2O5+
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
SMILESC=CCCCOC(=O)c1oc2ccccc2c1/C([N+]#N)=C(\O)OC
InChIInChI=1S/C17H16N2O5/c1-3-4-7-10-23-17(21)15-13(14(19-18)16(20)22-2)11-8-5-6-9-12(11)24-15/h3,5-6,8-9H,1,4,7,10H2,2H3/p+1
InChIKeyJMHNMABTFPIBNF-UHFFFAOYSA-O
XLogP4.24
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
CID 10522359
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
ethyl 2-but-3-enyl-1-benzofuran-3-carboxylate
CID 16742342
butyl 3-methyl-1-benzofuran-2-carboxylate
CID 78915206
hex-5-enyl 1-benzofuran-2-carboxylate
CID 154711242
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
pent-4-enyl 4-methylbenzoate
CID 176964104
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226
2-O-pent-4-enyl 1-O-tridecyl benzene-1,2-dicarboxylate
CID 91719806
methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate
CID 102336072
ethyl 3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560149
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
The IUPAC name of (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium (CID 10711351) is (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium.
What is the SMILES notation for (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
The canonical SMILES for (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium is C=CCCCOC(=O)c1oc2ccccc2c1/C([N+]#N)=C(\O)OC.
What is the InChIKey of (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
The InChIKey is JMHNMABTFPIBNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16N2O5/c1-3-4-7-10-23-17(21)15-13(14(19-18)16(20)22-2)11-8-5-6-9-12(11)24-15/h3,5-6,8-9H,1,4,7,10H2,2H3/p+1.
What are the key properties of (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium has a molecular weight of 329.33 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium is sourced from PubChem (CID 10711351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).