ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate

C9H15NO3 — CID 167716905

IUPACethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate
SMILESCCOC(=O)C1CC2CNCC2O1
InChIInChI=1S/C9H15NO3/c1-2-12-9(11)7-3-6-4-10-5-8(6)13-7/h6-8,10H,2-5H2,1H3
InChIKeyXTZYLIYCOLYPTP-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.07
Rot. Bonds2

About ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate

ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate (PubChem CID 167716905) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate
PubChem CID167716905
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate
SMILESCCOC(=O)C1CC2CNCC2O1
InChIInChI=1S/C9H15NO3/c1-2-12-9(11)7-3-6-4-10-5-8(6)13-7/h6-8,10H,2-5H2,1H3
InChIKeyXTZYLIYCOLYPTP-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate (CID 167716905) is ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate is CCOC(=O)C1CC2CNCC2O1.
What is the InChIKey of ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate?
The InChIKey is XTZYLIYCOLYPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-12-9(11)7-3-6-4-10-5-8(6)13-7/h6-8,10H,2-5H2,1H3.
What are the key properties of ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate?
ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole-2-carboxylate is sourced from PubChem (CID 167716905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).