4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

C18H14N2O5 — CID 5396321

IUPAC4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESCc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)o1
InChIInChI=1S/C18H14N2O5/c1-11-2-8-16(24-11)17(21)20-19-10-14-7-9-15(25-14)12-3-5-13(6-4-12)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/b19-10-
InChIKeyUSEBCQLNSXYXCC-GRSHGNNSSA-N
MW338.32 g/mol
LogP3.31
Rot. Bonds5

About 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 5396321) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID5396321
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESCc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)o1
InChIInChI=1S/C18H14N2O5/c1-11-2-8-16(24-11)17(21)20-19-10-14-7-9-15(25-14)12-3-5-13(6-4-12)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/b19-10-
InChIKeyUSEBCQLNSXYXCC-GRSHGNNSSA-N
XLogP3.31
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[5-[[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 681683
4-[5-[(Z)-[[2-(4-methylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126364419
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126373501
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
4-[5-[(Z)-[(5-bromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 41017298
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 1280117
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
2-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126047375
4-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 96892435
4-[5-[(Z)-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368157
4-[5-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 1207687

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 5396321) is 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)o1.
What is the InChIKey of 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is USEBCQLNSXYXCC-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-11-2-8-16(24-11)17(21)20-19-10-14-7-9-15(25-14)12-3-5-13(6-4-12)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/b19-10-.
What are the key properties of 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 338.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 5396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).