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

C8H13NO2 — CID 168983562

IUPAC4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde
SMILESCN1CC(C=O)C2OCCC21
InChIInChI=1S/C8H13NO2/c1-9-4-6(5-10)8-7(9)2-3-11-8/h5-8H,2-4H2,1H3
InChIKeyQQRHLSLUPNCELS-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds1

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

4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde (PubChem CID 168983562) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde
PubChem CID168983562
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde
SMILESCN1CC(C=O)C2OCCC21
InChIInChI=1S/C8H13NO2/c1-9-4-6(5-10)8-7(9)2-3-11-8/h5-8H,2-4H2,1H3
InChIKeyQQRHLSLUPNCELS-UHFFFAOYSA-N
XLogP-0.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde?
The IUPAC name of 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde (CID 168983562) is 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde.
What is the SMILES notation for 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde?
The canonical SMILES for 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde is CN1CC(C=O)C2OCCC21.
What is the InChIKey of 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde?
The InChIKey is QQRHLSLUPNCELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-4-6(5-10)8-7(9)2-3-11-8/h5-8H,2-4H2,1H3.
What are the key properties of 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde?
4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carbaldehyde is sourced from PubChem (CID 168983562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).