spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione

C13H17NO2 — CID 132503885

IUPACspiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione
SMILESO=C1CCCC12CCC1CC=CCN1C2=O
InChIInChI=1S/C13H17NO2/c15-11-5-3-7-13(11)8-6-10-4-1-2-9-14(10)12(13)16/h1-2,10H,3-9H2
InChIKeyFITKAFGHZGCLHV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.68
Rot. Bonds

About spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione

spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione (PubChem CID 132503885) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione.

Molecular Properties

Compound Namespiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione
PubChem CID132503885
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namespiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione
SMILESO=C1CCCC12CCC1CC=CCN1C2=O
InChIInChI=1S/C13H17NO2/c15-11-5-3-7-13(11)8-6-10-4-1-2-9-14(10)12(13)16/h1-2,10H,3-9H2
InChIKeyFITKAFGHZGCLHV-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7,8-Bis(prop-2-enyl)-7-azaspiro[4.5]decane-4,6-dione
CID 132503890
7-But-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione
CID 134861962
(4aR,8aS)-3-methyl-1-propan-2-yl-4a,5,6,8a-tetrahydroquinoline-2,4-dione
CID 134991833
(3R,4aS,8aR)-3-methyl-1-propan-2-yl-4a,5,6,8a-tetrahydroquinoline-2,4-dione
CID 10911108
(4aR,8aS)-3,3-dimethyl-1-propyl-4a,5,6,8a-tetrahydro-4H-quinolin-2-one
CID 101669843
(4aS,8aR)-3,3-dimethyl-1-propyl-4a,5,6,8a-tetrahydro-4H-quinolin-2-one
CID 101669844

Frequently Asked Questions

What is the IUPAC name of spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione?
The IUPAC name of spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione (CID 132503885) is spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione.
What is the SMILES notation for spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione?
The canonical SMILES for spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione is O=C1CCCC12CCC1CC=CCN1C2=O.
What is the InChIKey of spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione?
The InChIKey is FITKAFGHZGCLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-11-5-3-7-13(11)8-6-10-4-1-2-9-14(10)12(13)16/h1-2,10H,3-9H2.
What are the key properties of spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione?
spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione has a molecular weight of 219.28 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,6,9,9a-tetrahydro-1H-quinolizine-3,2'-cyclopentane]-1',4-dione is sourced from PubChem (CID 132503885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).