2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione

C10H15NO2 — CID 139702649

IUPAC2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione
SMILESCCC1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C10H15NO2/c1-2-7-9(12)8-5-3-4-6-11(8)10(7)13/h7-8H,2-6H2,1H3
InChIKeyNPGCRVRIWRXZNG-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.98
Rot. Bonds1

About 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione

2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione (PubChem CID 139702649) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione.

Molecular Properties

Compound Name2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione
PubChem CID139702649
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione
SMILESCCC1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C10H15NO2/c1-2-7-9(12)8-5-3-4-6-11(8)10(7)13/h7-8H,2-6H2,1H3
InChIKeyNPGCRVRIWRXZNG-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
2-tert-butyl-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932366
2-(cyclopentylmethyl)-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932299
3-ethyl-2-pentyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932621
3-ethyl-2-(3,3,3-trifluoropropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932732
3-ethyl-2-(4-methoxybutan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932486
3-ethyl-2-(5-methylhexan-2-yl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916238
2-cyclobutyl-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944421
3-ethyl-2-(4-fluorophenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917326
3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917136
3-ethyl-2-[(1-methylpiperidin-2-yl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923195
2-cyclopropyl-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932884

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione?
The IUPAC name of 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione (CID 139702649) is 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione.
What is the SMILES notation for 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione?
The canonical SMILES for 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione is CCC1C(=O)C2CCCCN2C1=O.
What is the InChIKey of 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione?
The InChIKey is NPGCRVRIWRXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-7-9(12)8-5-3-4-6-11(8)10(7)13/h7-8H,2-6H2,1H3.
What are the key properties of 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione?
2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione has a molecular weight of 181.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione is sourced from PubChem (CID 139702649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).