2,3-dimethyl-1H-indole-4-carbohydrazide

C11H13N3O — CID 138755314

IUPAC2,3-dimethyl-1H-indole-4-carbohydrazide
SMILESCc1[nH]c2cccc(C(=O)NN)c2c1C
InChIInChI=1S/C11H13N3O/c1-6-7(2)13-9-5-3-4-8(10(6)9)11(15)14-12/h3-5,13H,12H2,1-2H3,(H,14,15)
InChIKeyTWXMYXOFTBCULA-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.39
Rot. Bonds1

About 2,3-dimethyl-1H-indole-4-carbohydrazide

2,3-dimethyl-1H-indole-4-carbohydrazide (PubChem CID 138755314) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole-4-carbohydrazide.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole-4-carbohydrazide
PubChem CID138755314
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2,3-dimethyl-1H-indole-4-carbohydrazide
SMILESCc1[nH]c2cccc(C(=O)NN)c2c1C
InChIInChI=1S/C11H13N3O/c1-6-7(2)13-9-5-3-4-8(10(6)9)11(15)14-12/h3-5,13H,12H2,1-2H3,(H,14,15)
InChIKeyTWXMYXOFTBCULA-UHFFFAOYSA-N
XLogP1.39
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.39
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 2,3-dimethyl-1H-indole-4-carbohydrazide?
The IUPAC name of 2,3-dimethyl-1H-indole-4-carbohydrazide (CID 138755314) is 2,3-dimethyl-1H-indole-4-carbohydrazide.
What is the SMILES notation for 2,3-dimethyl-1H-indole-4-carbohydrazide?
The canonical SMILES for 2,3-dimethyl-1H-indole-4-carbohydrazide is Cc1[nH]c2cccc(C(=O)NN)c2c1C.
What is the InChIKey of 2,3-dimethyl-1H-indole-4-carbohydrazide?
The InChIKey is TWXMYXOFTBCULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-7(2)13-9-5-3-4-8(10(6)9)11(15)14-12/h3-5,13H,12H2,1-2H3,(H,14,15).
What are the key properties of 2,3-dimethyl-1H-indole-4-carbohydrazide?
2,3-dimethyl-1H-indole-4-carbohydrazide has a molecular weight of 203.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole-4-carbohydrazide is sourced from PubChem (CID 138755314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).