(2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione

C9H13NO3 — CID 45091337

IUPAC(2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
SMILESCO[C@H]1C[C@H]2CC(=O)CC(=O)N2C1
InChIInChI=1S/C9H13NO3/c1-13-8-3-6-2-7(11)4-9(12)10(6)5-8/h6,8H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyFYNLIJQOLANBHU-SVRRBLITSA-N
MW183.21 g/mol
LogP-0.03
Rot. Bonds1

About (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione

(2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione (PubChem CID 45091337) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione.

Molecular Properties

Compound Name(2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
PubChem CID45091337
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
SMILESCO[C@H]1C[C@H]2CC(=O)CC(=O)N2C1
InChIInChI=1S/C9H13NO3/c1-13-8-3-6-2-7(11)4-9(12)10(6)5-8/h6,8H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyFYNLIJQOLANBHU-SVRRBLITSA-N
XLogP-0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione with MolForge

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Related Compounds

trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 45357850
2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 43558111
1-(3-bicyclo[3.1.0]hexanyl)pyrrolidine-2,4-dione
CID 130791739
methyl 5,7-dioxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate
CID 162681171
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-2,4-dione
CID 79515406
1-(3-methoxycyclohexyl)piperazine-2,5-dione
CID 64875228
1-methyl-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
CID 151645109
[(1S,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
CID 124857188
[(1R,3R)-3-methoxycyclohexyl] (3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxylate
CID 124857189
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212
1-cyclooctylpyrrolidine-2,4-dione
CID 79516413

Frequently Asked Questions

What is the IUPAC name of (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione?
The IUPAC name of (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione (CID 45091337) is (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione.
What is the SMILES notation for (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione?
The canonical SMILES for (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione is CO[C@H]1C[C@H]2CC(=O)CC(=O)N2C1.
What is the InChIKey of (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione?
The InChIKey is FYNLIJQOLANBHU-SVRRBLITSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-8-3-6-2-7(11)4-9(12)10(6)5-8/h6,8H,2-5H2,1H3/t6-,8+/m1/s1.
What are the key properties of (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione?
(2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione has a molecular weight of 183.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8aS)-2-methoxy-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione is sourced from PubChem (CID 45091337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).