6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

C12H19N3O3 — CID 116657207

IUPAC6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCOC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H19N3O3/c16-11-2-1-10-7-14(4-5-15(10)11)12(17)13-9-3-6-18-8-9/h9-10H,1-8H2,(H,13,17)
InChIKeyFFMZXEPEJHYWSY-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.21
Rot. Bonds1

About 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide

6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 116657207) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID116657207
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCOC1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H19N3O3/c16-11-2-1-10-7-14(4-5-15(10)11)12(17)13-9-3-6-18-8-9/h9-10H,1-8H2,(H,13,17)
InChIKeyFFMZXEPEJHYWSY-UHFFFAOYSA-N
XLogP-0.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 115870401
N-(oxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115760770
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855461
2-methyl-N-(oxolan-3-yl)-1,4-oxazepane-4-carboxamide
CID 115760659
N-benzyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 103876130
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzoic acid
CID 82856451
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)oxane-4-carbonitrile
CID 82863444
2-(3,4,5-trifluorobenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856892
2-methyl-4-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 82863781
2-(bicyclo[3.1.0]hexane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863196

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide (CID 116657207) is 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(NC1CCOC1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is FFMZXEPEJHYWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-11-2-1-10-7-14(4-5-15(10)11)12(17)13-9-3-6-18-8-9/h9-10H,1-8H2,(H,13,17).
What are the key properties of 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide?
6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(oxolan-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 116657207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).