4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid

C18H19N3O2 — CID 74856803

IUPAC4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C18H19N3O2/c22-18(23)15-5-7-16(8-6-15)20-19-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10,13,20H,1-2,11-12H2,(H,22,23)
InChIKeyWDGNZOHMORUBMC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.43
Rot. Bonds5

About 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid

4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 74856803) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID74856803
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NN=Cc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C18H19N3O2/c22-18(23)15-5-7-16(8-6-15)20-19-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10,13,20H,1-2,11-12H2,(H,22,23)
InChIKeyWDGNZOHMORUBMC-UHFFFAOYSA-N
XLogP3.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
CID 169383937
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841699
4-[2-[(4-propan-2-ylsulfanylphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841197
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine
CID 141349940
4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
CID 9013174
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid (CID 74856803) is 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccc(NN=Cc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is WDGNZOHMORUBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(23)15-5-7-16(8-6-15)20-19-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10,13,20H,1-2,11-12H2,(H,22,23).
What are the key properties of 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid?
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 74856803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).