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

C9H10N2O3 — CID 91275981

IUPAC2-methoxy-2-nitro-1,3-dihydroindole
SMILESCOC1([N+](=O)[O-])Cc2ccccc2N1
InChIInChI=1S/C9H10N2O3/c1-14-9(11(12)13)6-7-4-2-3-5-8(7)10-9/h2-5,10H,6H2,1H3
InChIKeyODLOITVZSGVVRX-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.23
Rot. Bonds2

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

2-methoxy-2-nitro-1,3-dihydroindole (PubChem CID 91275981) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methoxy-2-nitro-1,3-dihydroindole.

Molecular Properties

Compound Name2-methoxy-2-nitro-1,3-dihydroindole
PubChem CID91275981
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-methoxy-2-nitro-1,3-dihydroindole
SMILESCOC1([N+](=O)[O-])Cc2ccccc2N1
InChIInChI=1S/C9H10N2O3/c1-14-9(11(12)13)6-7-4-2-3-5-8(7)10-9/h2-5,10H,6H2,1H3
InChIKeyODLOITVZSGVVRX-UHFFFAOYSA-N
XLogP1.23
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-methoxy-2-nitro-1,3-dihydroindole?
The IUPAC name of 2-methoxy-2-nitro-1,3-dihydroindole (CID 91275981) is 2-methoxy-2-nitro-1,3-dihydroindole.
What is the SMILES notation for 2-methoxy-2-nitro-1,3-dihydroindole?
The canonical SMILES for 2-methoxy-2-nitro-1,3-dihydroindole is COC1([N+](=O)[O-])Cc2ccccc2N1.
What is the InChIKey of 2-methoxy-2-nitro-1,3-dihydroindole?
The InChIKey is ODLOITVZSGVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-9(11(12)13)6-7-4-2-3-5-8(7)10-9/h2-5,10H,6H2,1H3.
What are the key properties of 2-methoxy-2-nitro-1,3-dihydroindole?
2-methoxy-2-nitro-1,3-dihydroindole has a molecular weight of 194.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-nitro-1,3-dihydroindole is sourced from PubChem (CID 91275981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).