2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C12H18N2O2 — CID 82864086

IUPAC2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(CN1CCN2C(=O)CCC2C1)C1CC1
InChIInChI=1S/C12H18N2O2/c15-11(9-1-2-9)8-13-5-6-14-10(7-13)3-4-12(14)16/h9-10H,1-8H2
InChIKeyQZBIWAQKPYMMFS-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.27
Rot. Bonds3

About 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82864086) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82864086
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(CN1CCN2C(=O)CCC2C1)C1CC1
InChIInChI=1S/C12H18N2O2/c15-11(9-1-2-9)8-13-5-6-14-10(7-13)3-4-12(14)16/h9-10H,1-8H2
InChIKeyQZBIWAQKPYMMFS-UHFFFAOYSA-N
XLogP0.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 115824960
Val-Pro lactam
CID 524965
(4S,8aS)-2-butyl-4-propan-2-yl-4,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,3,6-trione
CID 166445868
3-propan-2-yl-2-[1-(trifluoromethyl)cyclopropyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106210901
2-(2-fluoroethyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 114267062
alpha-Ketoisovaleryl-Leu-Pro lactam
CID 524934
alpha-Ketoisovaleryl-Val-Pro lactam
CID 524946
(3R,8aS)-2-(3-Methyl-2-oxobutyryl)-3-[(1R)-1-methylpropyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 550762
2-methyl-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 13956237
2,3,7-Trimethyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 53913250
1-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]ethanone
CID 57941168
1,6-Ditert-butyl-3,3a,4,7a-tetrahydropyrrolo[2,3-c]pyridine-2,5,7-trione
CID 59067677

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82864086) is 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C(CN1CCN2C(=O)CCC2C1)C1CC1.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is QZBIWAQKPYMMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11(9-1-2-9)8-13-5-6-14-10(7-13)3-4-12(14)16/h9-10H,1-8H2.
What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82864086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).