2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione

C11H13NO2 — CID 142701312

IUPAC2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione
SMILESO=C1C=C2CC3CCC(=O)N3CC2C1
InChIInChI=1S/C11H13NO2/c13-10-4-7-3-9-1-2-11(14)12(9)6-8(7)5-10/h4,8-9H,1-3,5-6H2
InChIKeyVGCPIXUDCQLRHF-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.90
Rot. Bonds

About 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione

2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione (PubChem CID 142701312) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione.

Molecular Properties

Compound Name2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione
PubChem CID142701312
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione
SMILESO=C1C=C2CC3CCC(=O)N3CC2C1
InChIInChI=1S/C11H13NO2/c13-10-4-7-3-9-1-2-11(14)12(9)6-8(7)5-10/h4,8-9H,1-3,5-6H2
InChIKeyVGCPIXUDCQLRHF-UHFFFAOYSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131876212
(6S)-6-fluoro-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 167250307
2-(3-oxocyclopenten-1-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104788033
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168687046
(6aS)-5,6,6a,7,8,11-hexahydropyrrolo[1,2-b][2]benzazepin-9-one
CID 139043408
7-tert-butyl-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 10954419
(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727694
(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 86727879
(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
CID 129388955
(6aS)-2-butyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 68559403
5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide
CID 168716641
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1-methylpiperidin-2-one
CID 64668227

Frequently Asked Questions

What is the IUPAC name of 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione?
The IUPAC name of 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione (CID 142701312) is 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione.
What is the SMILES notation for 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione?
The canonical SMILES for 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione is O=C1C=C2CC3CCC(=O)N3CC2C1.
What is the InChIKey of 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione?
The InChIKey is VGCPIXUDCQLRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-4-7-3-9-1-2-11(14)12(9)6-8(7)5-10/h4,8-9H,1-3,5-6H2.
What are the key properties of 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione?
2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione has a molecular weight of 191.23 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5a,6,9,9a-hexahydro-1H-cyclopenta[f]indolizine-3,7-dione is sourced from PubChem (CID 142701312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).