5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C11H20N2O — CID 145259565

IUPAC5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESC(CN1CC2COCC2C1)C1CNC1
InChIInChI=1S/C11H20N2O/c1(9-3-12-4-9)2-13-5-10-7-14-8-11(10)6-13/h9-12H,1-8H2
InChIKeySGPNEVBMVHSOMO-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.17
Rot. Bonds3

About 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 145259565) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID145259565
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESC(CN1CC2COCC2C1)C1CNC1
InChIInChI=1S/C11H20N2O/c1(9-3-12-4-9)2-13-5-10-7-14-8-11(10)6-13/h9-12H,1-8H2
InChIKeySGPNEVBMVHSOMO-UHFFFAOYSA-N
XLogP0.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azetidin-3-yl)ethyl]azetidin-3-ol
CID 126580737
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane
CID 116679964
[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
CID 107391013
2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol
CID 121215376
(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 129494104
2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole
CID 116679908
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
CID 169000293
5-(azetidin-3-ylmethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 162741770
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 63221969
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylmorpholine
CID 116679454
3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine
CID 129494379

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 145259565) is 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is C(CN1CC2COCC2C1)C1CNC1.
What is the InChIKey of 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is SGPNEVBMVHSOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1(9-3-12-4-9)2-13-5-10-7-14-8-11(10)6-13/h9-12H,1-8H2.
What are the key properties of 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 196.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-yl)ethyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 145259565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).