4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid

C12H12N2O2 — CID 143301404

IUPAC4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid
SMILESC=C/C=N/C=C\Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H12N2O2/c1-2-7-13-8-9-14-11-5-3-10(4-6-11)12(15)16/h2-9,14H,1H2,(H,15,16)/b9-8-,13-7+
InChIKeyBEAXNJJWMDBRMT-URSXUPEYSA-N
MW216.24 g/mol
LogP2.52
Rot. Bonds5

About 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid

4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid (PubChem CID 143301404) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid
PubChem CID143301404
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid
SMILESC=C/C=N/C=C\Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H12N2O2/c1-2-7-13-8-9-14-11-5-3-10(4-6-11)12(15)16/h2-9,14H,1H2,(H,15,16)/b9-8-,13-7+
InChIKeyBEAXNJJWMDBRMT-URSXUPEYSA-N
XLogP2.52
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid
CID 131874294
4-[(4,4-dimethyl-3-oxopent-1-enyl)amino]benzoic acid
CID 889304
bis(prop-1-ene);terephthalic acid
CID 159254525
ethene;terephthalic acid
CID 18755810
terephthalic acid
CID 160582437
4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874
4-(ethenylcarbamoylamino)benzoic acid
CID 76851362
ethene;prop-1-ene;terephthalic acid
CID 70629697
4-[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzoic acid
CID 890469
4-(oxidoamino)benzoic acid
CID 54746218
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid?
The IUPAC name of 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid (CID 143301404) is 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid?
The canonical SMILES for 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid is C=C/C=N/C=C\Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid?
The InChIKey is BEAXNJJWMDBRMT-URSXUPEYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-7-13-8-9-14-11-5-3-10(4-6-11)12(15)16/h2-9,14H,1H2,(H,15,16)/b9-8-,13-7+.
What are the key properties of 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid?
4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2-(prop-2-enylideneamino)ethenyl]amino]benzoic acid is sourced from PubChem (CID 143301404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).