methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate

C15H15NO4 — CID 57137648

IUPACmethyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate
SMILESCOC(=O)CC1OC=C(OC)c2c1[nH]c1ccccc21
InChIInChI=1S/C15H15NO4/c1-18-12-8-20-11(7-13(17)19-2)15-14(12)9-5-3-4-6-10(9)16-15/h3-6,8,11,16H,7H2,1-2H3
InChIKeyJPIDZWZEXIBQSP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.75
Rot. Bonds3

About methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate

methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate (PubChem CID 57137648) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate
PubChem CID57137648
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate
SMILESCOC(=O)CC1OC=C(OC)c2c1[nH]c1ccccc21
InChIInChI=1S/C15H15NO4/c1-18-12-8-20-11(7-13(17)19-2)15-14(12)9-5-3-4-6-10(9)16-15/h3-6,8,11,16H,7H2,1-2H3
InChIKeyJPIDZWZEXIBQSP-UHFFFAOYSA-N
XLogP2.75
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
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dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate
CID 100955123
methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate
CID 116873455
methyl 2-[(2R,3R,6S,12bS)-6-cyano-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acetate
CID 102278641
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate?
The IUPAC name of methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate (CID 57137648) is methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate is COC(=O)CC1OC=C(OC)c2c1[nH]c1ccccc21.
What is the InChIKey of methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate?
The InChIKey is JPIDZWZEXIBQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-12-8-20-11(7-13(17)19-2)15-14(12)9-5-3-4-6-10(9)16-15/h3-6,8,11,16H,7H2,1-2H3.
What are the key properties of methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate?
methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate has a molecular weight of 273.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-1,9-dihydropyrano[3,4-b]indol-1-yl)acetate is sourced from PubChem (CID 57137648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).