2-(1H-indol-3-yl)acetohydrazide

C10H11N3O — CID 21589

IUPAC2-(1H-indol-3-yl)acetohydrazide
SMILESNNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)
InChIKeyGYHLCXMCGCVVCG-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.70
Rot. Bonds2

About 2-(1H-indol-3-yl)acetohydrazide

2-(1H-indol-3-yl)acetohydrazide (PubChem CID 21589) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetohydrazide
PubChem CID21589
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(1H-indol-3-yl)acetohydrazide
SMILESNNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)
InChIKeyGYHLCXMCGCVVCG-UHFFFAOYSA-N
XLogP0.70
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(1H-indol-3-yl)acetohydrazide?
The IUPAC name of 2-(1H-indol-3-yl)acetohydrazide (CID 21589) is 2-(1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1H-indol-3-yl)acetohydrazide?
The canonical SMILES for 2-(1H-indol-3-yl)acetohydrazide is NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetohydrazide?
The InChIKey is GYHLCXMCGCVVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14).
What are the key properties of 2-(1H-indol-3-yl)acetohydrazide?
2-(1H-indol-3-yl)acetohydrazide has a molecular weight of 189.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 21589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).