(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C8H15NO — CID 171921114

IUPAC(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCO[C@H]1CC[C@H]2CNC[C@@H]21
InChIInChI=1S/C8H15NO/c1-10-8-3-2-6-4-9-5-7(6)8/h6-9H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyJEAZATZVBBQEBK-FXQIFTODSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds1

About (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 171921114) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID171921114
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCO[C@H]1CC[C@H]2CNC[C@@H]21
InChIInChI=1S/C8H15NO/c1-10-8-3-2-6-4-9-5-7(6)8/h6-9H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyJEAZATZVBBQEBK-FXQIFTODSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 171921114) is (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is CO[C@H]1CC[C@H]2CNC[C@@H]21.
What is the InChIKey of (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is JEAZATZVBBQEBK-FXQIFTODSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-8-3-2-6-4-9-5-7(6)8/h6-9H,2-5H2,1H3/t6-,7-,8-/m0/s1.
What are the key properties of (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 141.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 171921114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).