3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C14H22N2O3 — CID 82736808

IUPAC3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCC2C(=O)N1C1CCOC1C
InChIInChI=1S/C14H22N2O3/c1-3-10-13(17)15-7-4-5-12(15)14(18)16(10)11-6-8-19-9(11)2/h9-12H,3-8H2,1-2H3
InChIKeyYZNVHPWSQBEALW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.78
Rot. Bonds2

About 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 82736808) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID82736808
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCCC1C(=O)N2CCCC2C(=O)N1C1CCOC1C
InChIInChI=1S/C14H22N2O3/c1-3-10-13(17)15-7-4-5-12(15)14(18)16(10)11-6-8-19-9(11)2/h9-12H,3-8H2,1-2H3
InChIKeyYZNVHPWSQBEALW-UHFFFAOYSA-N
XLogP0.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-(2-methylcyclopropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944639
2-(2,3-dimethylcyclopentyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944729
2-cyclobutyl-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944421
3-ethyl-2-(1-methylpiperidin-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944609
6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82737139
3-ethyl-2-(3-methylcyclohexyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79917136
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944658
3-ethyl-2-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79926729
2-(cyclopentylmethyl)-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932299
3-ethyl-2-(1-methylcyclopentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944865
3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82737026
2-(2,2-dicyclopropylethyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79925964

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 82736808) is 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is CCC1C(=O)N2CCCC2C(=O)N1C1CCOC1C.
What is the InChIKey of 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is YZNVHPWSQBEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-10-13(17)15-7-4-5-12(15)14(18)16(10)11-6-8-19-9(11)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 266.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 82736808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).