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

C8H15NO — CID 170606863

IUPAC(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCCN1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-2-9-3-7-5-10-6-8(7)4-9/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyJMKLLDXXRALICA-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.58
Rot. Bonds1

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

(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 170606863) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID170606863
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCCN1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-2-9-3-7-5-10-6-8(7)4-9/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyJMKLLDXXRALICA-HTQZYQBOSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

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Related Compounds

2-((3aR,6aS)-hexahydro-1H-furo(3,4-c)pyrrol-5-yl)ethan-1-ol
CID 129385948
5-Fluoro-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 174266301
2-(tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl)ethan-1-ol
CID 21518545
5-Butyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 21518549
N,N-dimethyl-1-(5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methanamine
CID 53954450
5-Methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 57626121
(3aR,6aS)-5-methanidyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrol-5-ium
CID 57868094
(3aS)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 58095396
(3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 58095467
5-Propan-2-yl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 58348959
1-(Oxolan-3-ylmethyl)pyrrolidine
CID 66580688
3-Methyl-1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580904

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 170606863) is (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is CCN1C[C@@H]2COC[C@H]2C1.
What is the InChIKey of (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is JMKLLDXXRALICA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-3-7-5-10-6-8(7)4-9/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 141.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 170606863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).