2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide

C17H17N3O — CID 115465575

IUPAC2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1Cn1ccc2ccccc21
InChIInChI=1S/C17H17N3O/c18-19-17(21)11-14-6-1-2-7-15(14)12-20-10-9-13-5-3-4-8-16(13)20/h1-10H,11-12,18H2,(H,19,21)
InChIKeyZKBZHWHBORGTEN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.22
Rot. Bonds4

About 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide

2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide (PubChem CID 115465575) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide
PubChem CID115465575
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1Cn1ccc2ccccc21
InChIInChI=1S/C17H17N3O/c18-19-17(21)11-14-6-1-2-7-15(14)12-20-10-9-13-5-3-4-8-16(13)20/h1-10H,11-12,18H2,(H,19,21)
InChIKeyZKBZHWHBORGTEN-UHFFFAOYSA-N
XLogP2.22
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide (CID 115465575) is 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccccc1Cn1ccc2ccccc21.
What is the InChIKey of 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide?
The InChIKey is ZKBZHWHBORGTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-19-17(21)11-14-6-1-2-7-15(14)12-20-10-9-13-5-3-4-8-16(13)20/h1-10H,11-12,18H2,(H,19,21).
What are the key properties of 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide?
2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide has a molecular weight of 279.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide is sourced from PubChem (CID 115465575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).