3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one

C9H9N3O4 — CID 82235274

IUPAC3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one
SMILESCOc1cc([N+](=O)[O-])cc2c1NC(=O)C2N
InChIInChI=1S/C9H9N3O4/c1-16-6-3-4(12(14)15)2-5-7(10)9(13)11-8(5)6/h2-3,7H,10H2,1H3,(H,11,13)
InChIKeyGHVFQKBTJVDDFY-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.56
Rot. Bonds2

About 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one

3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one (PubChem CID 82235274) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one
PubChem CID82235274
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one
SMILESCOc1cc([N+](=O)[O-])cc2c1NC(=O)C2N
InChIInChI=1S/C9H9N3O4/c1-16-6-3-4(12(14)15)2-5-7(10)9(13)11-8(5)6/h2-3,7H,10H2,1H3,(H,11,13)
InChIKeyGHVFQKBTJVDDFY-UHFFFAOYSA-N
XLogP0.56
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
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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2-(2-hydroxy-3-methoxy-5-nitrophenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270593
(4R)-5,5-difluoro-4-(2-hydroxy-3-methoxy-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188876
(2-bromo-6-methoxy-4-nitrophenyl)methanamine
CID 171019721
7-methoxy-5-nitro-1H-indole
CID 10797804
3-(2-methoxy-4-nitroanilino)pyrrolidine-2,5-dione
CID 62881212
methyl 4-(2-hydroxy-3-methoxy-5-nitrophenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843765
(3aS,4S,9bS)-4-(2-chloro-5-nitrophenyl)-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 40636960

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one (CID 82235274) is 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one is COc1cc([N+](=O)[O-])cc2c1NC(=O)C2N.
What is the InChIKey of 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is GHVFQKBTJVDDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-16-6-3-4(12(14)15)2-5-7(10)9(13)11-8(5)6/h2-3,7H,10H2,1H3,(H,11,13).
What are the key properties of 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one?
3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 223.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82235274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).