(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid

C10H10N2O2 — CID 143782029

IUPAC(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid
SMILES[H]/N=C(\C=C\C(=O)O)c1ccccc1N
InChIInChI=1S/C10H10N2O2/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-6,12H,11H2,(H,13,14)/b6-5+,12-9+
InChIKeyFXIYKUXAXXAAEU-HFACTSAFSA-N
MW190.20 g/mol
LogP1.28
Rot. Bonds3

About (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid

(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid (PubChem CID 143782029) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid
PubChem CID143782029
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid
SMILES[H]/N=C(\C=C\C(=O)O)c1ccccc1N
InChIInChI=1S/C10H10N2O2/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-6,12H,11H2,(H,13,14)/b6-5+,12-9+
InChIKeyFXIYKUXAXXAAEU-HFACTSAFSA-N
XLogP1.28
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-cyano-3-pyridinyl)-4-iminobut-2-enoic acid
CID 88574700
aniline;but-2-enedioic acid
CID 160758978
4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142077134
bis(2-aminobenzoic acid);nickel
CID 73156847
CID 172796646
CID 172796646
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;urea
CID 158027537
(2-aminophenyl)-phenylmethanone
CID 158207972
2-aminobenzoic acid;carbamic acid;hydrochloride
CID 67293810
4-amino-3-(2-oxoethanimidoyl)benzoic acid
CID 129107851
benzene-1,2-diamine;carbonic acid
CID 22256139

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid?
The IUPAC name of (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid (CID 143782029) is (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid.
What is the SMILES notation for (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid?
The canonical SMILES for (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid is [H]/N=C(\C=C\C(=O)O)c1ccccc1N.
What is the InChIKey of (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid?
The InChIKey is FXIYKUXAXXAAEU-HFACTSAFSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-6,12H,11H2,(H,13,14)/b6-5+,12-9+.
What are the key properties of (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid?
(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid is sourced from PubChem (CID 143782029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).