7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

C11H13NO2S — CID 44719100

IUPAC7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C)c2c1NC(=O)C2SC
InChIInChI=1S/C11H13NO2S/c1-6-4-5-7(14-2)9-8(6)10(15-3)11(13)12-9/h4-5,10H,1-3H3,(H,12,13)
InChIKeyNMPGMVZWQAJAPV-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.36
Rot. Bonds2

About 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 44719100) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID44719100
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C)c2c1NC(=O)C2SC
InChIInChI=1S/C11H13NO2S/c1-6-4-5-7(14-2)9-8(6)10(15-3)11(13)12-9/h4-5,10H,1-3H3,(H,12,13)
InChIKeyNMPGMVZWQAJAPV-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 134935807
3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
CID 82234613
5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 134996583
7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one
CID 57037736
5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84641314
7-methoxy-4-methylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622575
2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
CID 82624017
4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 169499137
7-methoxy-4-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 84632325
8-bromo-2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14119827
3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
CID 82075718
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82396298

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 44719100) is 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is COc1ccc(C)c2c1NC(=O)C2SC.
What is the InChIKey of 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is NMPGMVZWQAJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-6-4-5-7(14-2)9-8(6)10(15-3)11(13)12-9/h4-5,10H,1-3H3,(H,12,13).
What are the key properties of 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 223.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 44719100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).