3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid

C16H16N2O2 — CID 110841503

IUPAC3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(NN=CCCc2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c19-16(20)14-9-4-10-15(12-14)18-17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-12,18H,5,8H2,(H,19,20)
InChIKeyPMDRTGJUOBOMBA-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.42
Rot. Bonds6

About 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid

3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid (PubChem CID 110841503) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid
PubChem CID110841503
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(NN=CCCc2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c19-16(20)14-9-4-10-15(12-14)18-17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-12,18H,5,8H2,(H,19,20)
InChIKeyPMDRTGJUOBOMBA-UHFFFAOYSA-N
XLogP3.42
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-phenylethylamino)benzoic acid
CID 43139401
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
CID 7238939
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]benzoic acid
CID 88896863
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid?
The IUPAC name of 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid (CID 110841503) is 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid is O=C(O)c1cccc(NN=CCCc2ccccc2)c1.
What is the InChIKey of 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid?
The InChIKey is PMDRTGJUOBOMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)14-9-4-10-15(12-14)18-17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-12,18H,5,8H2,(H,19,20).
What are the key properties of 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid?
3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid has a molecular weight of 268.32 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 110841503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).