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

C11H15N3O — CID 63572405

IUPAC3-(1,3-dihydroisoindol-2-yl)propanehydrazide
SMILESNNC(=O)CCN1Cc2ccccc2C1
InChIInChI=1S/C11H15N3O/c12-13-11(15)5-6-14-7-9-3-1-2-4-10(9)8-14/h1-4H,5-8,12H2,(H,13,15)
InChIKeyBLFHQBDBNWFKEN-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.38
Rot. Bonds3

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

3-(1,3-dihydroisoindol-2-yl)propanehydrazide (PubChem CID 63572405) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)propanehydrazide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)propanehydrazide
PubChem CID63572405
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(1,3-dihydroisoindol-2-yl)propanehydrazide
SMILESNNC(=O)CCN1Cc2ccccc2C1
InChIInChI=1S/C11H15N3O/c12-13-11(15)5-6-14-7-9-3-1-2-4-10(9)8-14/h1-4H,5-8,12H2,(H,13,15)
InChIKeyBLFHQBDBNWFKEN-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
CID 55213456
3-(3,5-dioxopiperazin-1-yl)propanehydrazide
CID 66061045
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63573779
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanehydrazide
CID 63585572
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024556
3-(1,3-dihydroisoindol-2-yl)-N'-hydroxypropanimidamide
CID 76937288

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)propanehydrazide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)propanehydrazide (CID 63572405) is 3-(1,3-dihydroisoindol-2-yl)propanehydrazide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)propanehydrazide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)propanehydrazide is NNC(=O)CCN1Cc2ccccc2C1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)propanehydrazide?
The InChIKey is BLFHQBDBNWFKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-13-11(15)5-6-14-7-9-3-1-2-4-10(9)8-14/h1-4H,5-8,12H2,(H,13,15).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)propanehydrazide?
3-(1,3-dihydroisoindol-2-yl)propanehydrazide has a molecular weight of 205.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)propanehydrazide is sourced from PubChem (CID 63572405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).