2-(1,3-dioxoisoindol-2-yl)propanehydrazide

C11H11N3O3 — CID 23761283

IUPAC2-(1,3-dioxoisoindol-2-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11N3O3/c1-6(9(15)13-12)14-10(16)7-4-2-3-5-8(7)11(14)17/h2-6H,12H2,1H3,(H,13,15)
InChIKeyJZAIKXBZCRODBA-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.34
Rot. Bonds2

About 2-(1,3-dioxoisoindol-2-yl)propanehydrazide

2-(1,3-dioxoisoindol-2-yl)propanehydrazide (PubChem CID 23761283) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)propanehydrazide
PubChem CID23761283
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(1,3-dioxoisoindol-2-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11N3O3/c1-6(9(15)13-12)14-10(16)7-4-2-3-5-8(7)11(14)17/h2-6H,12H2,1H3,(H,13,15)
InChIKeyJZAIKXBZCRODBA-UHFFFAOYSA-N
XLogP-0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
methyl (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-methylbutanoate
CID 101224489
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 19165323
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide
CID 833261
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)propanehydrazide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)propanehydrazide (CID 23761283) is 2-(1,3-dioxoisoindol-2-yl)propanehydrazide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)propanehydrazide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)propanehydrazide is CC(C(=O)NN)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)propanehydrazide?
The InChIKey is JZAIKXBZCRODBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6(9(15)13-12)14-10(16)7-4-2-3-5-8(7)11(14)17/h2-6H,12H2,1H3,(H,13,15).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)propanehydrazide?
2-(1,3-dioxoisoindol-2-yl)propanehydrazide has a molecular weight of 233.23 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)propanehydrazide is sourced from PubChem (CID 23761283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).