7-nitro-1,3-dihydroindol-2-one

C8H6N2O3 — CID 6424838

IUPAC7-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cccc([N+](=O)[O-])c2N1
InChIInChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)
InChIKeyVGANBSWHOYEFKJ-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.09
Rot. Bonds1

About 7-nitro-1,3-dihydroindol-2-one

7-nitro-1,3-dihydroindol-2-one (PubChem CID 6424838) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 7-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-nitro-1,3-dihydroindol-2-one
PubChem CID6424838
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name7-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cccc([N+](=O)[O-])c2N1
InChIInChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)
InChIKeyVGANBSWHOYEFKJ-UHFFFAOYSA-N
XLogP1.09
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 7-nitro-1,3-dihydroindol-2-one (CID 6424838) is 7-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-nitro-1,3-dihydroindol-2-one is O=C1Cc2cccc([N+](=O)[O-])c2N1.
What is the InChIKey of 7-nitro-1,3-dihydroindol-2-one?
The InChIKey is VGANBSWHOYEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11).
What are the key properties of 7-nitro-1,3-dihydroindol-2-one?
7-nitro-1,3-dihydroindol-2-one has a molecular weight of 178.15 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 6424838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).