3-phenyl-1H-indole-2-carbohydrazide

C15H13N3O — CID 2763658

IUPAC3-phenyl-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O/c16-18-15(19)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,17H,16H2,(H,18,19)
InChIKeyYJCHFYZYBSUQDQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.44
Rot. Bonds2

About 3-phenyl-1H-indole-2-carbohydrazide

3-phenyl-1H-indole-2-carbohydrazide (PubChem CID 2763658) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-phenyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-1H-indole-2-carbohydrazide
PubChem CID2763658
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-phenyl-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O/c16-18-15(19)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,17H,16H2,(H,18,19)
InChIKeyYJCHFYZYBSUQDQ-UHFFFAOYSA-N
XLogP2.44
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.44
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 3-phenyl-1H-indole-2-carbohydrazide?
The IUPAC name of 3-phenyl-1H-indole-2-carbohydrazide (CID 2763658) is 3-phenyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for 3-phenyl-1H-indole-2-carbohydrazide?
The canonical SMILES for 3-phenyl-1H-indole-2-carbohydrazide is NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-1H-indole-2-carbohydrazide?
The InChIKey is YJCHFYZYBSUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-18-15(19)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,17H,16H2,(H,18,19).
What are the key properties of 3-phenyl-1H-indole-2-carbohydrazide?
3-phenyl-1H-indole-2-carbohydrazide has a molecular weight of 251.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 2763658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).