methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate

C13H17NO3 — CID 115040747

IUPACmethyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1CN(C)c2cc(OC)ccc21
InChIInChI=1S/C13H17NO3/c1-14-8-9(6-13(15)17-3)11-5-4-10(16-2)7-12(11)14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyFSVBDBBRWIPACO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate

methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate (PubChem CID 115040747) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
PubChem CID115040747
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1CN(C)c2cc(OC)ccc21
InChIInChI=1S/C13H17NO3/c1-14-8-9(6-13(15)17-3)11-5-4-10(16-2)7-12(11)14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyFSVBDBBRWIPACO-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115033850
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
methyl 2-(3-hydroxyimino-6-methoxy-1,2-dihydroinden-1-yl)acetate
CID 86650493
methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
CID 101347837
2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
CID 110672592
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
3-[6-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]propanoic acid
CID 71031157
methyl 3-(8-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl)propanoate
CID 156781351

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate?
The IUPAC name of methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate (CID 115040747) is methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate is COC(=O)CC1CN(C)c2cc(OC)ccc21.
What is the InChIKey of methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate?
The InChIKey is FSVBDBBRWIPACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14-8-9(6-13(15)17-3)11-5-4-10(16-2)7-12(11)14/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate?
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate has a molecular weight of 235.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 115040747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).