1,3-dimethylindole-5-carbohydrazide

C11H13N3O — CID 169299009

IUPAC1,3-dimethylindole-5-carbohydrazide
SMILESCc1cn(C)c2ccc(C(=O)NN)cc12
InChIInChI=1S/C11H13N3O/c1-7-6-14(2)10-4-3-8(5-9(7)10)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyVSNGMQSHCSDGHD-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.09
Rot. Bonds1

About 1,3-dimethylindole-5-carbohydrazide

1,3-dimethylindole-5-carbohydrazide (PubChem CID 169299009) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1,3-dimethylindole-5-carbohydrazide.

Molecular Properties

Compound Name1,3-dimethylindole-5-carbohydrazide
PubChem CID169299009
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1,3-dimethylindole-5-carbohydrazide
SMILESCc1cn(C)c2ccc(C(=O)NN)cc12
InChIInChI=1S/C11H13N3O/c1-7-6-14(2)10-4-3-8(5-9(7)10)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyVSNGMQSHCSDGHD-UHFFFAOYSA-N
XLogP1.09
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.09
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 1,3-dimethylindole-5-carbohydrazide?
The IUPAC name of 1,3-dimethylindole-5-carbohydrazide (CID 169299009) is 1,3-dimethylindole-5-carbohydrazide.
What is the SMILES notation for 1,3-dimethylindole-5-carbohydrazide?
The canonical SMILES for 1,3-dimethylindole-5-carbohydrazide is Cc1cn(C)c2ccc(C(=O)NN)cc12.
What is the InChIKey of 1,3-dimethylindole-5-carbohydrazide?
The InChIKey is VSNGMQSHCSDGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-6-14(2)10-4-3-8(5-9(7)10)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15).
What are the key properties of 1,3-dimethylindole-5-carbohydrazide?
1,3-dimethylindole-5-carbohydrazide has a molecular weight of 203.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylindole-5-carbohydrazide is sourced from PubChem (CID 169299009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).