dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate

C15H15NO4 — CID 139231193

IUPACdimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate
SMILESCOC(=O)C1c2ccccc2N2CC=CC12C(=O)OC
InChIInChI=1S/C15H15NO4/c1-19-13(17)12-10-6-3-4-7-11(10)16-9-5-8-15(12,16)14(18)20-2/h3-8,12H,9H2,1-2H3
InChIKeyFUORSRHJTDBDLA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.24
Rot. Bonds2

About dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate

dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate (PubChem CID 139231193) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate
PubChem CID139231193
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namedimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate
SMILESCOC(=O)C1c2ccccc2N2CC=CC12C(=O)OC
InChIInChI=1S/C15H15NO4/c1-19-13(17)12-10-6-3-4-7-11(10)16-9-5-8-15(12,16)14(18)20-2/h3-8,12H,9H2,1-2H3
InChIKeyFUORSRHJTDBDLA-UHFFFAOYSA-N
XLogP1.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate?
The IUPAC name of dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate (CID 139231193) is dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate.
What is the SMILES notation for dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate?
The canonical SMILES for dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate is COC(=O)C1c2ccccc2N2CC=CC12C(=O)OC.
What is the InChIKey of dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate?
The InChIKey is FUORSRHJTDBDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-13(17)12-10-6-3-4-7-11(10)16-9-5-8-15(12,16)14(18)20-2/h3-8,12H,9H2,1-2H3.
What are the key properties of dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate?
dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,4-dihydropyrrolo[1,2-a]indole-3a,4-dicarboxylate is sourced from PubChem (CID 139231193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).