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

C11H11NO6 — CID 58134140

IUPACethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)OCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C11H11NO6/c1-2-15-11(14)18-6-17-10(13)8-5-9-7(12-8)3-4-16-9/h3-5,12H,2,6H2,1H3
InChIKeySMPYOFWHQZVPGS-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.05
Rot. Bonds4

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

ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 58134140) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID58134140
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Nameethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)OCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C11H11NO6/c1-2-15-11(14)18-6-17-10(13)8-5-9-7(12-8)3-4-16-9/h3-5,12H,2,6H2,1H3
InChIKeySMPYOFWHQZVPGS-UHFFFAOYSA-N
XLogP2.05
TPSA90.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123865378
acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
CID 143939741
[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
cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923962
molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939670
1-butanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50924108
[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123140497
[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
pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70795923

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 58134140) is ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)OCOC(=O)c1cc2occc2[nH]1.
What is the InChIKey of ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is SMPYOFWHQZVPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6/c1-2-15-11(14)18-6-17-10(13)8-5-9-7(12-8)3-4-16-9/h3-5,12H,2,6H2,1H3.
What are the key properties of ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 253.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 58134140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).