5,7-dinitro-1,3-dihydroindol-2-one

C8H5N3O5 — CID 2773399

IUPAC5,7-dinitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N1
InChIInChI=1S/C8H5N3O5/c12-7-2-4-1-5(10(13)14)3-6(11(15)16)8(4)9-7/h1,3H,2H2,(H,9,12)
InChIKeyOHIHEPCCFSIXCK-UHFFFAOYSA-N
MW223.14 g/mol
LogP1.00
Rot. Bonds2

About 5,7-dinitro-1,3-dihydroindol-2-one

5,7-dinitro-1,3-dihydroindol-2-one (PubChem CID 2773399) has the molecular formula C8H5N3O5 and a molecular weight of 223.14 g/mol. Its IUPAC name is 5,7-dinitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,7-dinitro-1,3-dihydroindol-2-one
PubChem CID2773399
Molecular FormulaC8H5N3O5
Molecular Weight223.14 g/mol
Exact Mass223.02
IUPAC Name5,7-dinitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N1
InChIInChI=1S/C8H5N3O5/c12-7-2-4-1-5(10(13)14)3-6(11(15)16)8(4)9-7/h1,3H,2H2,(H,9,12)
InChIKeyOHIHEPCCFSIXCK-UHFFFAOYSA-N
XLogP1.00
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

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CID 11063780
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Frequently Asked Questions

What is the IUPAC name of 5,7-dinitro-1,3-dihydroindol-2-one?
The IUPAC name of 5,7-dinitro-1,3-dihydroindol-2-one (CID 2773399) is 5,7-dinitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,7-dinitro-1,3-dihydroindol-2-one?
The canonical SMILES for 5,7-dinitro-1,3-dihydroindol-2-one is O=C1Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N1.
What is the InChIKey of 5,7-dinitro-1,3-dihydroindol-2-one?
The InChIKey is OHIHEPCCFSIXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O5/c12-7-2-4-1-5(10(13)14)3-6(11(15)16)8(4)9-7/h1,3H,2H2,(H,9,12).
What are the key properties of 5,7-dinitro-1,3-dihydroindol-2-one?
5,7-dinitro-1,3-dihydroindol-2-one has a molecular weight of 223.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dinitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 2773399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).