(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione

C13H19NO2 — CID 58560734

IUPAC(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione
SMILESO=C1CC2(CCCCC2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C13H19NO2/c15-11-9-13(6-2-1-3-7-13)12(16)14-8-4-5-10(11)14/h10H,1-9H2/t10-/m0/s1
InChIKeyYOGYIAQIIHKMNE-JTQLQIEISA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds

About (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione

(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione (PubChem CID 58560734) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione.

Molecular Properties

Compound Name(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione
PubChem CID58560734
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione
SMILESO=C1CC2(CCCCC2)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C13H19NO2/c15-11-9-13(6-2-1-3-7-13)12(16)14-8-4-5-10(11)14/h10H,1-9H2/t10-/m0/s1
InChIKeyYOGYIAQIIHKMNE-JTQLQIEISA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9aS)-spiro[2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,4-dione
CID 155816681
2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 79672322
2-(2-oxo-1-prop-2-enylpyrrolidin-3-yl)-2-azaspiro[4.5]decane-1,3-dione
CID 166202054
3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 163112483
(8aR)-3,3-dimethyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,4-dione
CID 89403221
2-hydroxy-2-azaspiro[4.11]hexadecane-1,3-dione
CID 10563768
2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944933
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
2-(2-aminocyclopentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 55167605
(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 129463286
2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944728
2-piperidin-1-ylcyclopentan-1-one
CID 15566705

Frequently Asked Questions

What is the IUPAC name of (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione?
The IUPAC name of (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione (CID 58560734) is (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione.
What is the SMILES notation for (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione?
The canonical SMILES for (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione is O=C1CC2(CCCCC2)C(=O)N2CCC[C@@H]12.
What is the InChIKey of (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione?
The InChIKey is YOGYIAQIIHKMNE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c15-11-9-13(6-2-1-3-7-13)12(16)14-8-4-5-10(11)14/h10H,1-9H2/t10-/m0/s1.
What are the key properties of (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione?
(8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione has a molecular weight of 221.30 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-spiro[2,3,7,8a-tetrahydro-1H-indolizine-6,1'-cyclohexane]-5,8-dione is sourced from PubChem (CID 58560734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).