1-benzylindole-4-carbohydrazide

C16H15N3O — CID 154701001

IUPAC1-benzylindole-4-carbohydrazide
SMILESNNC(=O)c1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C16H15N3O/c17-18-16(20)14-7-4-8-15-13(14)9-10-19(15)11-12-5-2-1-3-6-12/h1-10H,11,17H2,(H,18,20)
InChIKeyHTIDRHNKNIQEPO-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.29
Rot. Bonds3

About 1-benzylindole-4-carbohydrazide

1-benzylindole-4-carbohydrazide (PubChem CID 154701001) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-benzylindole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzylindole-4-carbohydrazide
PubChem CID154701001
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-benzylindole-4-carbohydrazide
SMILESNNC(=O)c1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C16H15N3O/c17-18-16(20)14-7-4-8-15-13(14)9-10-19(15)11-12-5-2-1-3-6-12/h1-10H,11,17H2,(H,18,20)
InChIKeyHTIDRHNKNIQEPO-UHFFFAOYSA-N
XLogP2.29
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.29
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 1-benzylindole-4-carbohydrazide?
The IUPAC name of 1-benzylindole-4-carbohydrazide (CID 154701001) is 1-benzylindole-4-carbohydrazide.
What is the SMILES notation for 1-benzylindole-4-carbohydrazide?
The canonical SMILES for 1-benzylindole-4-carbohydrazide is NNC(=O)c1cccc2c1ccn2Cc1ccccc1.
What is the InChIKey of 1-benzylindole-4-carbohydrazide?
The InChIKey is HTIDRHNKNIQEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-18-16(20)14-7-4-8-15-13(14)9-10-19(15)11-12-5-2-1-3-6-12/h1-10H,11,17H2,(H,18,20).
What are the key properties of 1-benzylindole-4-carbohydrazide?
1-benzylindole-4-carbohydrazide has a molecular weight of 265.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindole-4-carbohydrazide is sourced from PubChem (CID 154701001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).