(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid

C16H14N2O4 — CID 5405803

IUPAC(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
SMILESO=C(N/N=C1/CCCc2oc(C(=O)O)cc21)c1ccccc1
InChIInChI=1S/C16H14N2O4/c19-15(10-5-2-1-3-6-10)18-17-12-7-4-8-13-11(12)9-14(22-13)16(20)21/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,20,21)/b17-12-
InChIKeyZVIDIORZAXPNMW-ATVHPVEESA-N
MW298.30 g/mol
LogP2.45
Rot. Bonds3

About (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid

(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid (PubChem CID 5405803) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
PubChem CID5405803
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
SMILESO=C(N/N=C1/CCCc2oc(C(=O)O)cc21)c1ccccc1
InChIInChI=1S/C16H14N2O4/c19-15(10-5-2-1-3-6-10)18-17-12-7-4-8-13-11(12)9-14(22-13)16(20)21/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,20,21)/b17-12-
InChIKeyZVIDIORZAXPNMW-ATVHPVEESA-N
XLogP2.45
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
(3,5-dimethylphenyl) (4E)-4-(benzoylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19155077
(4E)-4-[(3-chlorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
CID 19157529
N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155136
N-[(E)-[2-(benzamidocarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-4-carboxamide
CID 19158349
N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide
CID 123570357
(4E)-4-(benzoylhydrazinylidene)-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155055
N-(cyclododecylideneamino)benzamide
CID 4147051
(4E)-4-(benzoylhydrazinylidene)-N-(5-chloro-2-methylphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155102
(4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
CID 19157193
N-[(E)-[2-(anilinocarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-methylbenzamide
CID 19155458
(4E)-N,N-dibenzyl-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156285

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
The IUPAC name of (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid (CID 5405803) is (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
The canonical SMILES for (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid is O=C(N/N=C1/CCCc2oc(C(=O)O)cc21)c1ccccc1.
What is the InChIKey of (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
The InChIKey is ZVIDIORZAXPNMW-ATVHPVEESA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15(10-5-2-1-3-6-10)18-17-12-7-4-8-13-11(12)9-14(22-13)16(20)21/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,20,21)/b17-12-.
What are the key properties of (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid?
(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 5405803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).