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

C10H11NO3 — CID 96623944

IUPAC5,7-dimethoxy-1,2-dihydroindol-3-one
SMILESCOc1cc(OC)c2c(c1)C(=O)CN2
InChIInChI=1S/C10H11NO3/c1-13-6-3-7-8(12)5-11-10(7)9(4-6)14-2/h3-4,11H,5H2,1-2H3
InChIKeyLCSFOIUREHXIRM-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.31
Rot. Bonds2

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

5,7-dimethoxy-1,2-dihydroindol-3-one (PubChem CID 96623944) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5,7-dimethoxy-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name5,7-dimethoxy-1,2-dihydroindol-3-one
PubChem CID96623944
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5,7-dimethoxy-1,2-dihydroindol-3-one
SMILESCOc1cc(OC)c2c(c1)C(=O)CN2
InChIInChI=1S/C10H11NO3/c1-13-6-3-7-8(12)5-11-10(7)9(4-6)14-2/h3-4,11H,5H2,1-2H3
InChIKeyLCSFOIUREHXIRM-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-1,2-dihydroindol-3-one?
The IUPAC name of 5,7-dimethoxy-1,2-dihydroindol-3-one (CID 96623944) is 5,7-dimethoxy-1,2-dihydroindol-3-one.
What is the SMILES notation for 5,7-dimethoxy-1,2-dihydroindol-3-one?
The canonical SMILES for 5,7-dimethoxy-1,2-dihydroindol-3-one is COc1cc(OC)c2c(c1)C(=O)CN2.
What is the InChIKey of 5,7-dimethoxy-1,2-dihydroindol-3-one?
The InChIKey is LCSFOIUREHXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-6-3-7-8(12)5-11-10(7)9(4-6)14-2/h3-4,11H,5H2,1-2H3.
What are the key properties of 5,7-dimethoxy-1,2-dihydroindol-3-one?
5,7-dimethoxy-1,2-dihydroindol-3-one has a molecular weight of 193.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-1,2-dihydroindol-3-one is sourced from PubChem (CID 96623944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).