2-(6-cyanoindol-1-yl)propanehydrazide

C12H12N4O — CID 107917648

IUPAC2-(6-cyanoindol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1ccc2ccc(C#N)cc21
InChIInChI=1S/C12H12N4O/c1-8(12(17)15-14)16-5-4-10-3-2-9(7-13)6-11(10)16/h2-6,8H,14H2,1H3,(H,15,17)
InChIKeyKIENVRYSQHLHHP-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.06
Rot. Bonds2

About 2-(6-cyanoindol-1-yl)propanehydrazide

2-(6-cyanoindol-1-yl)propanehydrazide (PubChem CID 107917648) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(6-cyanoindol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(6-cyanoindol-1-yl)propanehydrazide
PubChem CID107917648
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(6-cyanoindol-1-yl)propanehydrazide
SMILESCC(C(=O)NN)n1ccc2ccc(C#N)cc21
InChIInChI=1S/C12H12N4O/c1-8(12(17)15-14)16-5-4-10-3-2-9(7-13)6-11(10)16/h2-6,8H,14H2,1H3,(H,15,17)
InChIKeyKIENVRYSQHLHHP-UHFFFAOYSA-N
XLogP1.06
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.06
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

2-(5-cyanoindol-1-yl)-N-ethylpropanamide
CID 114015993
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile
CID 114015624
1-hydroxyindole-6-carbonitrile
CID 13415512
2-(4-methylindol-1-yl)propanehydrazide
CID 63577949
hydrazinyl 3-(6-cyanoindol-1-yl)propanoate
CID 107917655
2-acetamido-3-(6-cyanoindol-1-yl)propanoic acid
CID 107916575
methyl 5-cyanoindole-1-carboxylate
CID 15422551
1-(2-oxopentyl)indole-6-carbonitrile
CID 107916852
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
3-(5-cyanoindol-1-yl)-2-methylpropanamide
CID 107920443

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyanoindol-1-yl)propanehydrazide?
The IUPAC name of 2-(6-cyanoindol-1-yl)propanehydrazide (CID 107917648) is 2-(6-cyanoindol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(6-cyanoindol-1-yl)propanehydrazide?
The canonical SMILES for 2-(6-cyanoindol-1-yl)propanehydrazide is CC(C(=O)NN)n1ccc2ccc(C#N)cc21.
What is the InChIKey of 2-(6-cyanoindol-1-yl)propanehydrazide?
The InChIKey is KIENVRYSQHLHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8(12(17)15-14)16-5-4-10-3-2-9(7-13)6-11(10)16/h2-6,8H,14H2,1H3,(H,15,17).
What are the key properties of 2-(6-cyanoindol-1-yl)propanehydrazide?
2-(6-cyanoindol-1-yl)propanehydrazide has a molecular weight of 228.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyanoindol-1-yl)propanehydrazide is sourced from PubChem (CID 107917648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).