2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid

C18H14N2O2 — CID 45327399

IUPAC2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1cccc2ccccc12
InChIInChI=1S/C18H14N2O2/c21-18(22)16-10-3-4-11-17(16)20-19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12,20H,(H,21,22)/b19-12+
InChIKeyQUBRHWVPAZERQB-XDHOZWIPSA-N
MW290.32 g/mol
LogP3.98
Rot. Bonds4

About 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid

2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid (PubChem CID 45327399) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
PubChem CID45327399
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1cccc2ccccc12
InChIInChI=1S/C18H14N2O2/c21-18(22)16-10-3-4-11-17(16)20-19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12,20H,(H,21,22)/b19-12+
InChIKeyQUBRHWVPAZERQB-XDHOZWIPSA-N
XLogP3.98
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 20846182
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]benzenesulfonate
CID 142408404
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
CID 135708289
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135406957
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
2-[2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 3698139

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid (CID 45327399) is 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid is O=C(O)c1ccccc1N/N=C/c1cccc2ccccc12.
What is the InChIKey of 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid?
The InChIKey is QUBRHWVPAZERQB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(22)16-10-3-4-11-17(16)20-19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12,20H,(H,21,22)/b19-12+.
What are the key properties of 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid?
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 45327399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).