4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole

C11H19NO3 — CID 90902681

IUPAC4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
SMILESC=C1CN(CC)C2C1OCC2(OC)OC
InChIInChI=1S/C11H19NO3/c1-5-12-6-8(2)9-10(12)11(13-3,14-4)7-15-9/h9-10H,2,5-7H2,1,3-4H3
InChIKeyHUMLRDFOMGSBIE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.63
Rot. Bonds3

About 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole

4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole (PubChem CID 90902681) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole.

Molecular Properties

Compound Name4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
PubChem CID90902681
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole
SMILESC=C1CN(CC)C2C1OCC2(OC)OC
InChIInChI=1S/C11H19NO3/c1-5-12-6-8(2)9-10(12)11(13-3,14-4)7-15-9/h9-10H,2,5-7H2,1,3-4H3
InChIKeyHUMLRDFOMGSBIE-UHFFFAOYSA-N
XLogP0.63
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The IUPAC name of 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole (CID 90902681) is 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole.
What is the SMILES notation for 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The canonical SMILES for 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole is C=C1CN(CC)C2C1OCC2(OC)OC.
What is the InChIKey of 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
The InChIKey is HUMLRDFOMGSBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-12-6-8(2)9-10(12)11(13-3,14-4)7-15-9/h9-10H,2,5-7H2,1,3-4H3.
What are the key properties of 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole?
4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole has a molecular weight of 213.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-dimethoxy-6-methylidene-2,3a,5,6a-tetrahydrofuro[3,2-b]pyrrole is sourced from PubChem (CID 90902681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).