2-(2-nitroethyl)-4,7-dihydro-1H-indole

C10H12N2O2 — CID 141191570

IUPAC2-(2-nitroethyl)-4,7-dihydro-1H-indole
SMILESO=[N+]([O-])CCc1cc2c([nH]1)CC=CC2
InChIInChI=1S/C10H12N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-2,7,11H,3-6H2
InChIKeyNCTKKWMSNFGXQS-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-nitroethyl)-4,7-dihydro-1H-indole

2-(2-nitroethyl)-4,7-dihydro-1H-indole (PubChem CID 141191570) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2-nitroethyl)-4,7-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2-nitroethyl)-4,7-dihydro-1H-indole
PubChem CID141191570
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2-nitroethyl)-4,7-dihydro-1H-indole
SMILESO=[N+]([O-])CCc1cc2c([nH]1)CC=CC2
InChIInChI=1S/C10H12N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-2,7,11H,3-6H2
InChIKeyNCTKKWMSNFGXQS-UHFFFAOYSA-N
XLogP1.49
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(2-nitroethyl)-4,7-dihydro-1H-indole?
The IUPAC name of 2-(2-nitroethyl)-4,7-dihydro-1H-indole (CID 141191570) is 2-(2-nitroethyl)-4,7-dihydro-1H-indole.
What is the SMILES notation for 2-(2-nitroethyl)-4,7-dihydro-1H-indole?
The canonical SMILES for 2-(2-nitroethyl)-4,7-dihydro-1H-indole is O=[N+]([O-])CCc1cc2c([nH]1)CC=CC2.
What is the InChIKey of 2-(2-nitroethyl)-4,7-dihydro-1H-indole?
The InChIKey is NCTKKWMSNFGXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-2,7,11H,3-6H2.
What are the key properties of 2-(2-nitroethyl)-4,7-dihydro-1H-indole?
2-(2-nitroethyl)-4,7-dihydro-1H-indole has a molecular weight of 192.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroethyl)-4,7-dihydro-1H-indole is sourced from PubChem (CID 141191570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).