[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

C15H20N4O2 — CID 131646464

IUPAC[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1C[C@@H]2CN(C3CCOC3)C[C@@H]2C1
InChIInChI=1S/C15H20N4O2/c20-15(14-5-16-2-3-17-14)19-8-11-6-18(7-12(11)9-19)13-1-4-21-10-13/h2-3,5,11-13H,1,4,6-10H2/t11-,12+,13?
InChIKeyXMBBHGNQOULBAS-FUNVUKJBSA-N
MW288.35 g/mol
LogP0.27
Rot. Bonds2

About [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (PubChem CID 131646464) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
PubChem CID131646464
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1C[C@@H]2CN(C3CCOC3)C[C@@H]2C1
InChIInChI=1S/C15H20N4O2/c20-15(14-5-16-2-3-17-14)19-8-11-6-18(7-12(11)9-19)13-1-4-21-10-13/h2-3,5,11-13H,1,4,6-10H2/t11-,12+,13?
InChIKeyXMBBHGNQOULBAS-FUNVUKJBSA-N
XLogP0.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[(3aR,6aS)-2-(oxolan-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 131653072
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
[(3aR,6aS)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97457905
[(3aS,7aS)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-pyrazin-2-ylmethanone
CID 124794019
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(thiadiazol-4-yl)methanone
CID 131689115
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194953
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(3-methylcyclobutyl)methanone
CID 131689109
N-[(3R,3aR,7aR)-1-(oxolan-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 133139903
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326
[(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
CID 133117872

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (CID 131646464) is [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1C[C@@H]2CN(C3CCOC3)C[C@@H]2C1.
What is the InChIKey of [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is XMBBHGNQOULBAS-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-15(14-5-16-2-3-17-14)19-8-11-6-18(7-12(11)9-19)13-1-4-21-10-13/h2-3,5,11-13H,1,4,6-10H2/t11-,12+,13?.
What are the key properties of [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 288.35 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 131646464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).