3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide

C17H17N3O3 — CID 5142925

IUPAC3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide
SMILESNNC(=O)CC(c1ccc(O)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H17N3O3/c18-19-16(22)9-15(11-5-7-13(21)8-6-11)20-10-12-3-1-2-4-14(12)17(20)23/h1-8,15,21H,9-10,18H2,(H,19,22)
InChIKeyPRPYOAJDNPMOAU-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.47
Rot. Bonds4

About 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide

3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide (PubChem CID 5142925) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide
PubChem CID5142925
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide
SMILESNNC(=O)CC(c1ccc(O)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H17N3O3/c18-19-16(22)9-15(11-5-7-13(21)8-6-11)20-10-12-3-1-2-4-14(12)17(20)23/h1-8,15,21H,9-10,18H2,(H,19,22)
InChIKeyPRPYOAJDNPMOAU-UHFFFAOYSA-N
XLogP1.47
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide?
The IUPAC name of 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide (CID 5142925) is 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide is NNC(=O)CC(c1ccc(O)cc1)N1Cc2ccccc2C1=O.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide?
The InChIKey is PRPYOAJDNPMOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-19-16(22)9-15(11-5-7-13(21)8-6-11)20-10-12-3-1-2-4-14(12)17(20)23/h1-8,15,21H,9-10,18H2,(H,19,22).
What are the key properties of 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide?
3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide has a molecular weight of 311.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanehydrazide is sourced from PubChem (CID 5142925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).