dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate

C17H18N2O5 — CID 101274681

IUPACdimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate
SMILESCOCn1cc(C(=O)OC)c2c3c(C(=O)OC)cn(C)c3ccc21
InChIInChI=1S/C17H18N2O5/c1-18-7-10(16(20)23-3)14-12(18)5-6-13-15(14)11(17(21)24-4)8-19(13)9-22-2/h5-8H,9H2,1-4H3
InChIKeyATJDGKYOALTLBT-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.31
Rot. Bonds4

About dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate

dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate (PubChem CID 101274681) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate
PubChem CID101274681
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Namedimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate
SMILESCOCn1cc(C(=O)OC)c2c3c(C(=O)OC)cn(C)c3ccc21
InChIInChI=1S/C17H18N2O5/c1-18-7-10(16(20)23-3)14-12(18)5-6-13-15(14)11(17(21)24-4)8-19(13)9-22-2/h5-8H,9H2,1-4H3
InChIKeyATJDGKYOALTLBT-UHFFFAOYSA-N
XLogP2.31
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-methyl-3-(2-nitroethyl)indole-4-carboxylate
CID 11277005
methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
CID 70118140
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
methyl 4-fluoro-7-methyl-1-[2-(trifluoromethoxy)ethyl]indole-3-carboxylate
CID 66973660
dimethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 112713972
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
CID 57297438
methyl 2-ethyl-1-methylpyrrole-3-carboxylate
CID 130719880
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
CID 58875117

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate?
The IUPAC name of dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate (CID 101274681) is dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate.
What is the SMILES notation for dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate?
The canonical SMILES for dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate is COCn1cc(C(=O)OC)c2c3c(C(=O)OC)cn(C)c3ccc21.
What is the InChIKey of dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate?
The InChIKey is ATJDGKYOALTLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-18-7-10(16(20)23-3)14-12(18)5-6-13-15(14)11(17(21)24-4)8-19(13)9-22-2/h5-8H,9H2,1-4H3.
What are the key properties of dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate?
dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate has a molecular weight of 330.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(methoxymethyl)-6-methylpyrrolo[3,2-e]indole-1,8-dicarboxylate is sourced from PubChem (CID 101274681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).