4-[(carbamoylhydrazinylidene)methyl]benzoic acid

C9H9N3O3 — CID 2588651

IUPAC4-[(carbamoylhydrazinylidene)methyl]benzoic acid
SMILESNC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9N3O3/c10-9(15)12-11-5-6-1-3-7(4-2-6)8(13)14/h1-5H,(H,13,14)(H3,10,12,15)
InChIKeyFZDOIQHRPXVBAV-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.39
Rot. Bonds3

About 4-[(carbamoylhydrazinylidene)methyl]benzoic acid

4-[(carbamoylhydrazinylidene)methyl]benzoic acid (PubChem CID 2588651) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-[(carbamoylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(carbamoylhydrazinylidene)methyl]benzoic acid
PubChem CID2588651
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name4-[(carbamoylhydrazinylidene)methyl]benzoic acid
SMILESNC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9N3O3/c10-9(15)12-11-5-6-1-3-7(4-2-6)8(13)14/h1-5H,(H,13,14)(H3,10,12,15)
InChIKeyFZDOIQHRPXVBAV-UHFFFAOYSA-N
XLogP0.39
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

[(E)-benzylideneamino]urea
CID 6861419
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 6861608
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
CID 168533454
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
CID 6864967
4-[(E)-(phenylmethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 23291014
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
4-[(Z)-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]hydrazinylidene]methyl]benzoic acid
CID 126066826
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 4-[(carbamoylhydrazinylidene)methyl]benzoic acid (CID 2588651) is 4-[(carbamoylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 4-[(carbamoylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 4-[(carbamoylhydrazinylidene)methyl]benzoic acid is NC(=O)NN=Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(carbamoylhydrazinylidene)methyl]benzoic acid?
The InChIKey is FZDOIQHRPXVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-9(15)12-11-5-6-1-3-7(4-2-6)8(13)14/h1-5H,(H,13,14)(H3,10,12,15).
What are the key properties of 4-[(carbamoylhydrazinylidene)methyl]benzoic acid?
4-[(carbamoylhydrazinylidene)methyl]benzoic acid has a molecular weight of 207.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 2588651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).