(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione

C11H15NO2 — CID 45276018

IUPAC(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione
SMILESO=C1CCN2C(=O)C[C@H]3CCC[C@]32C1
InChIInChI=1S/C11H15NO2/c13-9-3-5-12-10(14)6-8-2-1-4-11(8,12)7-9/h8H,1-7H2/t8-,11+/m1/s1
InChIKeyFUWMDICPUGCKSD-KCJUWKMLSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds

About (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione

(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione (PubChem CID 45276018) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione.

Molecular Properties

Compound Name(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione
PubChem CID45276018
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione
SMILESO=C1CCN2C(=O)C[C@H]3CCC[C@]32C1
InChIInChI=1S/C11H15NO2/c13-9-3-5-12-10(14)6-8-2-1-4-11(8,12)7-9/h8H,1-7H2/t8-,11+/m1/s1
InChIKeyFUWMDICPUGCKSD-KCJUWKMLSA-N
XLogP1.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione?
The IUPAC name of (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione (CID 45276018) is (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione.
What is the SMILES notation for (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione?
The canonical SMILES for (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione is O=C1CCN2C(=O)C[C@H]3CCC[C@]32C1.
What is the InChIKey of (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione?
The InChIKey is FUWMDICPUGCKSD-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H15NO2/c13-9-3-5-12-10(14)6-8-2-1-4-11(8,12)7-9/h8H,1-7H2/t8-,11+/m1/s1.
What are the key properties of (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione?
(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione has a molecular weight of 193.25 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione is sourced from PubChem (CID 45276018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).