(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum

C10H9LaNO3 — CID 175590215

IUPAC(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
SMILESO=C(O)/C=C\C(=O)Nc1ccccc1.[La]
InChIInChI=1S/C10H9NO3.La/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8;/h1-7H,(H,11,12)(H,13,14);/b7-6-;
InChIKeySSFVSRCPGGDLBA-NAFXZHHSSA-N
MW330.09 g/mol
LogP1.27
Rot. Bonds3

About (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum

(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum (PubChem CID 175590215) has the molecular formula C10H9LaNO3 and a molecular weight of 330.09 g/mol. Its IUPAC name is (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum.

Molecular Properties

Compound Name(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
PubChem CID175590215
Molecular FormulaC10H9LaNO3
Molecular Weight330.09 g/mol
Exact Mass329.96
IUPAC Name(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
SMILESO=C(O)/C=C\C(=O)Nc1ccccc1.[La]
InChIInChI=1S/C10H9NO3.La/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8;/h1-7H,(H,11,12)(H,13,14);/b7-6-;
InChIKeySSFVSRCPGGDLBA-NAFXZHHSSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]but-2-enoic acid
CID 3113746
(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid;hydroiodide
CID 87259063
(E)-4-(4-benzoylanilino)-4-oxobut-2-enoic acid
CID 707781
CID 162324012
CID 162324012
(E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
CID 717763
4-anilino-4-oxobut-2-enoic acid;benzyl(trimethyl)azanium
CID 173448558
4-oxo-4-[4-(phenylsulfamoyl)anilino]but-2-enoic acid
CID 927105
(E)-4-oxo-N,4-diphenylbut-2-enamide
CID 12588042
(Z)-4-[4-[[4-[[(Z)-3-carboxyprop-2-enoyl]amino]phenyl]diselanyl]anilino]-4-oxobut-2-enoic acid
CID 118736424
cobalt;(Z)-4-(4-hydroxyanilino)-4-oxobut-2-enoic acid
CID 67574152
(Z)-4-oxo-4-(4-sulfanylanilino)but-2-enoic acid
CID 70007709
(Z)-N-phenylbut-2-enamide
CID 59909226

Frequently Asked Questions

What is the IUPAC name of (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum?
The IUPAC name of (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum (CID 175590215) is (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum.
What is the SMILES notation for (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum?
The canonical SMILES for (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum is O=C(O)/C=C\C(=O)Nc1ccccc1.[La].
What is the InChIKey of (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum?
The InChIKey is SSFVSRCPGGDLBA-NAFXZHHSSA-N. The full InChI is InChI=1S/C10H9NO3.La/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8;/h1-7H,(H,11,12)(H,13,14);/b7-6-;.
What are the key properties of (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum?
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum has a molecular weight of 330.09 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum is sourced from PubChem (CID 175590215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).