2-methoxy-1-nitro-2,3-dihydroindole

C9H10N2O3 — CID 123983927

IUPAC2-methoxy-1-nitro-2,3-dihydroindole
SMILESCOC1Cc2ccccc2N1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-14-9-6-7-4-2-3-5-8(7)10(9)11(12)13/h2-5,9H,6H2,1H3
InChIKeyYKMIQSILEMWYKY-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.21
Rot. Bonds2

About 2-methoxy-1-nitro-2,3-dihydroindole

2-methoxy-1-nitro-2,3-dihydroindole (PubChem CID 123983927) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methoxy-1-nitro-2,3-dihydroindole.

Molecular Properties

Compound Name2-methoxy-1-nitro-2,3-dihydroindole
PubChem CID123983927
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-methoxy-1-nitro-2,3-dihydroindole
SMILESCOC1Cc2ccccc2N1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-14-9-6-7-4-2-3-5-8(7)10(9)11(12)13/h2-5,9H,6H2,1H3
InChIKeyYKMIQSILEMWYKY-UHFFFAOYSA-N
XLogP1.21
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-methoxy-1-nitro-2,3-dihydroindole?
The IUPAC name of 2-methoxy-1-nitro-2,3-dihydroindole (CID 123983927) is 2-methoxy-1-nitro-2,3-dihydroindole.
What is the SMILES notation for 2-methoxy-1-nitro-2,3-dihydroindole?
The canonical SMILES for 2-methoxy-1-nitro-2,3-dihydroindole is COC1Cc2ccccc2N1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-1-nitro-2,3-dihydroindole?
The InChIKey is YKMIQSILEMWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-9-6-7-4-2-3-5-8(7)10(9)11(12)13/h2-5,9H,6H2,1H3.
What are the key properties of 2-methoxy-1-nitro-2,3-dihydroindole?
2-methoxy-1-nitro-2,3-dihydroindole has a molecular weight of 194.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-nitro-2,3-dihydroindole is sourced from PubChem (CID 123983927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).