2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone

C11H9N3O — CID 93341883

IUPAC2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone
SMILESCc1c(C(=O)C=[N+]=[N-])[nH]c2ccccc12
InChIInChI=1S/C11H9N3O/c1-7-8-4-2-3-5-9(8)14-11(7)10(15)6-13-12/h2-6,14H,1H3
InChIKeyDGFOVZPOCMZBHW-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.96
Rot. Bonds2

About 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone

2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone (PubChem CID 93341883) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone
PubChem CID93341883
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone
SMILESCc1c(C(=O)C=[N+]=[N-])[nH]c2ccccc12
InChIInChI=1S/C11H9N3O/c1-7-8-4-2-3-5-9(8)14-11(7)10(15)6-13-12/h2-6,14H,1H3
InChIKeyDGFOVZPOCMZBHW-UHFFFAOYSA-N
XLogP1.96
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone?
The IUPAC name of 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone (CID 93341883) is 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone?
The canonical SMILES for 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone is Cc1c(C(=O)C=[N+]=[N-])[nH]c2ccccc12.
What is the InChIKey of 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone?
The InChIKey is DGFOVZPOCMZBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-7-8-4-2-3-5-9(8)14-11(7)10(15)6-13-12/h2-6,14H,1H3.
What are the key properties of 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone?
2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone has a molecular weight of 199.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(3-methyl-1H-indol-2-yl)ethanone is sourced from PubChem (CID 93341883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).