1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol

C9H19NO — CID 168986693

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol
SMILESC1CC2CNCC2C1.CCO
InChIInChI=1S/C7H13N.C2H6O/c1-2-6-4-8-5-7(6)3-1;1-2-3/h6-8H,1-5H2;3H,2H2,1H3
InChIKeyZVYZUHJBIQBYQI-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol (PubChem CID 168986693) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol
PubChem CID168986693
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol
SMILESC1CC2CNCC2C1.CCO
InChIInChI=1S/C7H13N.C2H6O/c1-2-6-4-8-5-7(6)3-1;1-2-3/h6-8H,1-5H2;3H,2H2,1H3
InChIKeyZVYZUHJBIQBYQI-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol (CID 168986693) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol is C1CC2CNCC2C1.CCO.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol?
The InChIKey is ZVYZUHJBIQBYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6O/c1-2-6-4-8-5-7(6)3-1;1-2-3/h6-8H,1-5H2;3H,2H2,1H3.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethanol is sourced from PubChem (CID 168986693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).