3-diazo-5-ethyl-1H-indol-2-one

C10H9N3O — CID 154711251

IUPAC3-diazo-5-ethyl-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(=[N+]=[N-])C(=O)N2
InChIInChI=1S/C10H9N3O/c1-2-6-3-4-8-7(5-6)9(13-11)10(14)12-8/h3-5H,2H2,1H3,(H,12,14)
InChIKeyJJSNPUGAIWBRMU-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.22
Rot. Bonds1

About 3-diazo-5-ethyl-1H-indol-2-one

3-diazo-5-ethyl-1H-indol-2-one (PubChem CID 154711251) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-diazo-5-ethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-diazo-5-ethyl-1H-indol-2-one
PubChem CID154711251
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-diazo-5-ethyl-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(=[N+]=[N-])C(=O)N2
InChIInChI=1S/C10H9N3O/c1-2-6-3-4-8-7(5-6)9(13-11)10(14)12-8/h3-5H,2H2,1H3,(H,12,14)
InChIKeyJJSNPUGAIWBRMU-UHFFFAOYSA-N
XLogP1.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-diazo-5-ethyl-1H-indol-2-one?
The IUPAC name of 3-diazo-5-ethyl-1H-indol-2-one (CID 154711251) is 3-diazo-5-ethyl-1H-indol-2-one.
What is the SMILES notation for 3-diazo-5-ethyl-1H-indol-2-one?
The canonical SMILES for 3-diazo-5-ethyl-1H-indol-2-one is CCc1ccc2c(c1)C(=[N+]=[N-])C(=O)N2.
What is the InChIKey of 3-diazo-5-ethyl-1H-indol-2-one?
The InChIKey is JJSNPUGAIWBRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-6-3-4-8-7(5-6)9(13-11)10(14)12-8/h3-5H,2H2,1H3,(H,12,14).
What are the key properties of 3-diazo-5-ethyl-1H-indol-2-one?
3-diazo-5-ethyl-1H-indol-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-5-ethyl-1H-indol-2-one is sourced from PubChem (CID 154711251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).