2-ethyl-4-nitro-1H-indole

C10H10N2O2 — CID 13047994

IUPAC2-ethyl-4-nitro-1H-indole
SMILESCCc1cc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-2-7-6-8-9(11-7)4-3-5-10(8)12(13)14/h3-6,11H,2H2,1H3
InChIKeyHTPUORYQGIQXIM-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.64
Rot. Bonds2

About 2-ethyl-4-nitro-1H-indole

2-ethyl-4-nitro-1H-indole (PubChem CID 13047994) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-ethyl-4-nitro-1H-indole.

Molecular Properties

Compound Name2-ethyl-4-nitro-1H-indole
PubChem CID13047994
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-ethyl-4-nitro-1H-indole
SMILESCCc1cc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-2-7-6-8-9(11-7)4-3-5-10(8)12(13)14/h3-6,11H,2H2,1H3
InChIKeyHTPUORYQGIQXIM-UHFFFAOYSA-N
XLogP2.64
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-ethyl-4-nitro-1H-indole?
The IUPAC name of 2-ethyl-4-nitro-1H-indole (CID 13047994) is 2-ethyl-4-nitro-1H-indole.
What is the SMILES notation for 2-ethyl-4-nitro-1H-indole?
The canonical SMILES for 2-ethyl-4-nitro-1H-indole is CCc1cc2c([N+](=O)[O-])cccc2[nH]1.
What is the InChIKey of 2-ethyl-4-nitro-1H-indole?
The InChIKey is HTPUORYQGIQXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-7-6-8-9(11-7)4-3-5-10(8)12(13)14/h3-6,11H,2H2,1H3.
What are the key properties of 2-ethyl-4-nitro-1H-indole?
2-ethyl-4-nitro-1H-indole has a molecular weight of 190.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-nitro-1H-indole is sourced from PubChem (CID 13047994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).