3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride

C9H11ClN2O2 — CID 47000692

IUPAC3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride
SMILESCOc1ccc2c(c1)NC(=O)C2N.Cl
InChIInChI=1S/C9H10N2O2.ClH/c1-13-5-2-3-6-7(4-5)11-9(12)8(6)10;/h2-4,8H,10H2,1H3,(H,11,12);1H
InChIKeyGGYQJXWGRFYOMD-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.07
Rot. Bonds1

About 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride

3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 47000692) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride
PubChem CID47000692
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride
SMILESCOc1ccc2c(c1)NC(=O)C2N.Cl
InChIInChI=1S/C9H10N2O2.ClH/c1-13-5-2-3-6-7(4-5)11-9(12)8(6)10;/h2-4,8H,10H2,1H3,(H,11,12);1H
InChIKeyGGYQJXWGRFYOMD-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride (CID 47000692) is 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride is COc1ccc2c(c1)NC(=O)C2N.Cl.
What is the InChIKey of 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is GGYQJXWGRFYOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.ClH/c1-13-5-2-3-6-7(4-5)11-9(12)8(6)10;/h2-4,8H,10H2,1H3,(H,11,12);1H.
What are the key properties of 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride?
3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 47000692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).