(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine

C9H17NO — CID 154970415

IUPAC(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine
SMILESCCC1C[C@H]2NCCC[C@H]2O1
InChIInChI=1S/C9H17NO/c1-2-7-6-8-9(11-7)4-3-5-10-8/h7-10H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyIXHMGPCKDZFEDL-CFCGPWAMSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds1

About (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine

(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine (PubChem CID 154970415) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine
PubChem CID154970415
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine
SMILESCCC1C[C@H]2NCCC[C@H]2O1
InChIInChI=1S/C9H17NO/c1-2-7-6-8-9(11-7)4-3-5-10-8/h7-10H,2-6H2,1H3/t7?,8-,9-/m1/s1
InChIKeyIXHMGPCKDZFEDL-CFCGPWAMSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine?
The IUPAC name of (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine (CID 154970415) is (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine.
What is the SMILES notation for (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine?
The canonical SMILES for (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine is CCC1C[C@H]2NCCC[C@H]2O1.
What is the InChIKey of (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine?
The InChIKey is IXHMGPCKDZFEDL-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-7-6-8-9(11-7)4-3-5-10-8/h7-10H,2-6H2,1H3/t7?,8-,9-/m1/s1.
What are the key properties of (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine?
(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine is sourced from PubChem (CID 154970415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).