3-(4-cyanoindol-1-yl)propanehydrazide

C12H12N4O — CID 107919610

IUPAC3-(4-cyanoindol-1-yl)propanehydrazide
SMILESN#Cc1cccc2c1ccn2CCC(=O)NN
InChIInChI=1S/C12H12N4O/c13-8-9-2-1-3-11-10(9)4-6-16(11)7-5-12(17)15-14/h1-4,6H,5,7,14H2,(H,15,17)
InChIKeyYROWQPZTFUBUTF-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.89
Rot. Bonds3

About 3-(4-cyanoindol-1-yl)propanehydrazide

3-(4-cyanoindol-1-yl)propanehydrazide (PubChem CID 107919610) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(4-cyanoindol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-cyanoindol-1-yl)propanehydrazide
PubChem CID107919610
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-(4-cyanoindol-1-yl)propanehydrazide
SMILESN#Cc1cccc2c1ccn2CCC(=O)NN
InChIInChI=1S/C12H12N4O/c13-8-9-2-1-3-11-10(9)4-6-16(11)7-5-12(17)15-14/h1-4,6H,5,7,14H2,(H,15,17)
InChIKeyYROWQPZTFUBUTF-UHFFFAOYSA-N
XLogP0.89
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.89
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'}

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Related Compounds

1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182
1-(4-aminobutyl)indole-4-carbonitrile
CID 107918909
5-(4-methylindol-1-yl)pentanehydrazide
CID 55214450
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
1-[2-(4-cyanoindol-1-yl)ethyl]triazole-4-carboxylic acid
CID 107918515
1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
CID 107918977
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoindol-1-yl)propanehydrazide?
The IUPAC name of 3-(4-cyanoindol-1-yl)propanehydrazide (CID 107919610) is 3-(4-cyanoindol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-cyanoindol-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-cyanoindol-1-yl)propanehydrazide is N#Cc1cccc2c1ccn2CCC(=O)NN.
What is the InChIKey of 3-(4-cyanoindol-1-yl)propanehydrazide?
The InChIKey is YROWQPZTFUBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-8-9-2-1-3-11-10(9)4-6-16(11)7-5-12(17)15-14/h1-4,6H,5,7,14H2,(H,15,17).
What are the key properties of 3-(4-cyanoindol-1-yl)propanehydrazide?
3-(4-cyanoindol-1-yl)propanehydrazide has a molecular weight of 228.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoindol-1-yl)propanehydrazide is sourced from PubChem (CID 107919610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).