2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde

C7H11NO2 — CID 143609286

IUPAC2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde
SMILESO=CN1CCC2OCCC21
InChIInChI=1S/C7H11NO2/c9-5-8-3-1-7-6(8)2-4-10-7/h5-7H,1-4H2
InChIKeyIMCVGJMNUIFXOY-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds1

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde (PubChem CID 143609286) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde
PubChem CID143609286
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde
SMILESO=CN1CCC2OCCC21
InChIInChI=1S/C7H11NO2/c9-5-8-3-1-7-6(8)2-4-10-7/h5-7H,1-4H2
InChIKeyIMCVGJMNUIFXOY-UHFFFAOYSA-N
XLogP0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropylmorpholine-4-carbaldehyde
CID 123226910
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
CID 64992279
(2R)-2-cyclopropylmorpholine-4-carbaldehyde
CID 167506006
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90136279
tert-butyl 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 141197728
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)furan-2-carbaldehyde
CID 62121764
1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone
CID 130671896
(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 98815743
4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 167466590
2-pyrrolidin-2-ylpyrrolidine-1-carbaldehyde
CID 87510951
4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde
CID 168983562
1-(oxan-2-yl)-2-(oxolan-2-yl)piperidine
CID 141346693

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde (CID 143609286) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde is O=CN1CCC2OCCC21.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
The InChIKey is IMCVGJMNUIFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-8-3-1-7-6(8)2-4-10-7/h5-7H,1-4H2.
What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde?
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde has a molecular weight of 141.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carbaldehyde is sourced from PubChem (CID 143609286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).