1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine

C7H11NO — CID 158864990

IUPAC1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine
SMILESC1=C2COCC2CNC1
InChIInChI=1S/C7H11NO/c1-2-8-3-7-5-9-4-6(1)7/h1,7-8H,2-5H2
InChIKeyGEDMOGQIGCUYAW-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.16
Rot. Bonds

About 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine

1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine (PubChem CID 158864990) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine.

Molecular Properties

Compound Name1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine
PubChem CID158864990
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine
SMILESC1=C2COCC2CNC1
InChIInChI=1S/C7H11NO/c1-2-8-3-7-5-9-4-6(1)7/h1,7-8H,2-5H2
InChIKeyGEDMOGQIGCUYAW-UHFFFAOYSA-N
XLogP0.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,3a,4,5a-Hexahydrochromeno[3,4-c]pyrrole
CID 70077879
1,3,3a,4,5,5a-Hexahydrofuro[3,4-c]quinoline
CID 89407409
1,3,3a,4,5,6-Hexahydrofuro[3,4-c]pyridin-4-amine
CID 149620566
4-(2-Methylpropoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404459
4-(3-Methylbutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404465
4-(Oxolan-3-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404588
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-1-amine
CID 115741746
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methoxybutan-1-amine
CID 115741842
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-ethoxybutan-1-amine
CID 115741854
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylbutan-1-amine
CID 115742149
N-(3,6-dihydro-2H-pyran-4-ylmethyl)ethanamine
CID 130857428

Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine?
The IUPAC name of 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine (CID 158864990) is 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine.
What is the SMILES notation for 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine?
The canonical SMILES for 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine is C1=C2COCC2CNC1.
What is the InChIKey of 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine?
The InChIKey is GEDMOGQIGCUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-8-3-7-5-9-4-6(1)7/h1,7-8H,2-5H2.
What are the key properties of 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine?
1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine has a molecular weight of 125.17 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,5,6-hexahydrofuro[3,4-c]pyridine is sourced from PubChem (CID 158864990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).