2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid

C19H19N3O3 — CID 45327860

IUPAC2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1ccccc1C(=O)O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-13(20-21-17-6-3-2-5-16(17)19(24)25)14-8-10-15(11-9-14)22-12-4-7-18(22)23/h2-3,5-6,8-11,21H,4,7,12H2,1H3,(H,24,25)/b20-13+
InChIKeyMHANGWABEVWVBN-DEDYPNTBSA-N
MW337.38 g/mol
LogP3.35
Rot. Bonds5

About 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid

2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid (PubChem CID 45327860) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid
PubChem CID45327860
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1ccccc1C(=O)O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-13(20-21-17-6-3-2-5-16(17)19(24)25)14-8-10-15(11-9-14)22-12-4-7-18(22)23/h2-3,5-6,8-11,21H,4,7,12H2,1H3,(H,24,25)/b20-13+
InChIKeyMHANGWABEVWVBN-DEDYPNTBSA-N
XLogP3.35
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenyl]pyrrolidin-2-one
CID 8973239
2-[(2E)-2-[1-(2-oxo-1,3-dihydroindol-5-yl)ethylidene]hydrazinyl]benzoic acid
CID 95976036
4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
CID 790502
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
4-(2-oxopyrrolidin-1-yl)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 792183
4-(2-oxopyrrolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5406284
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
1-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-3-propylthiourea
CID 8981475
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid (CID 45327860) is 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid is C/C(=N\Nc1ccccc1C(=O)O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid?
The InChIKey is MHANGWABEVWVBN-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(20-21-17-6-3-2-5-16(17)19(24)25)14-8-10-15(11-9-14)22-12-4-7-18(22)23/h2-3,5-6,8-11,21H,4,7,12H2,1H3,(H,24,25)/b20-13+.
What are the key properties of 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 45327860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).