5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid

C13H15N3O2 — CID 121331630

IUPAC5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid
SMILESNNC1(c2ccccc2N)C=CC=C(C(=O)O)C1
InChIInChI=1S/C13H15N3O2/c14-11-6-2-1-5-10(11)13(16-15)7-3-4-9(8-13)12(17)18/h1-7,16H,8,14-15H2,(H,17,18)
InChIKeyRLAWXMBSBYLPKC-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.90
Rot. Bonds3

About 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid

5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 121331630) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid
PubChem CID121331630
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid
SMILESNNC1(c2ccccc2N)C=CC=C(C(=O)O)C1
InChIInChI=1S/C13H15N3O2/c14-11-6-2-1-5-10(11)13(16-15)7-3-4-9(8-13)12(17)18/h1-7,16H,8,14-15H2,(H,17,18)
InChIKeyRLAWXMBSBYLPKC-UHFFFAOYSA-N
XLogP0.90
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid (CID 121331630) is 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid is NNC1(c2ccccc2N)C=CC=C(C(=O)O)C1.
What is the InChIKey of 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is RLAWXMBSBYLPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-11-6-2-1-5-10(11)13(16-15)7-3-4-9(8-13)12(17)18/h1-7,16H,8,14-15H2,(H,17,18).
What are the key properties of 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid?
5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-5-hydrazinylcyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 121331630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).