N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide

C13H14N4O — CID 10857646

IUPACN'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide
SMILESN#CCCNNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N4O/c14-6-3-7-16-17-13(18)8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,15-16H,3,7-8H2,(H,17,18)
InChIKeyGIUXTKZRARPJIO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.24
Rot. Bonds5

About N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide

N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide (PubChem CID 10857646) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide
PubChem CID10857646
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide
SMILESN#CCCNNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N4O/c14-6-3-7-16-17-13(18)8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,15-16H,3,7-8H2,(H,17,18)
InChIKeyGIUXTKZRARPJIO-UHFFFAOYSA-N
XLogP1.24
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 55788905
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N'-[2-(1H-indol-3-yl)acetyl]cyclobutanecarbohydrazide
CID 29437842
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide?
The IUPAC name of N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide (CID 10857646) is N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide?
The canonical SMILES for N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide is N#CCCNNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide?
The InChIKey is GIUXTKZRARPJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-6-3-7-16-17-13(18)8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,9,15-16H,3,7-8H2,(H,17,18).
What are the key properties of N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide?
N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide has a molecular weight of 242.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 10857646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).