ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C11H13NO5 — CID 123865378

IUPACethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOCOCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C11H13NO5/c1-2-14-6-15-7-17-11(13)9-5-10-8(12-9)3-4-16-10/h3-5,12H,2,6-7H2,1H3
InChIKeyLJGWDCRVBMYYME-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.89
Rot. Bonds6

About ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 123865378) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID123865378
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Nameethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOCOCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C11H13NO5/c1-2-14-6-15-7-17-11(13)9-5-10-8(12-9)3-4-16-10/h3-5,12H,2,6-7H2,1H3
InChIKeyLJGWDCRVBMYYME-UHFFFAOYSA-N
XLogP1.89
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
CID 143939741
cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923962
[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 66958572
propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923959
1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134017
pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70795923
molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939670
[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123140497
1-butanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50924108
[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134130
1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58133893

Frequently Asked Questions

What is the IUPAC name of ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 123865378) is ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CCOCOCOC(=O)c1cc2occc2[nH]1.
What is the InChIKey of ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is LJGWDCRVBMYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-2-14-6-15-7-17-11(13)9-5-10-8(12-9)3-4-16-10/h3-5,12H,2,6-7H2,1H3.
What are the key properties of ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 239.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 123865378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).