1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one

C13H24N2O — CID 126750281

IUPAC1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN2CCCC2(C)C1
InChIInChI=1S/C13H24N2O/c1-12(2,3)11(16)14-8-9-15-7-5-6-13(15,4)10-14/h5-10H2,1-4H3
InChIKeyCBOKSKLPTHANLT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds

About 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one

1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 126750281) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID126750281
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN2CCCC2(C)C1
InChIInChI=1S/C13H24N2O/c1-12(2,3)11(16)14-8-9-15-7-5-6-13(15,4)10-14/h5-10H2,1-4H3
InChIKeyCBOKSKLPTHANLT-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653
1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
CID 130842982
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 168727113
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
ethane;2,2,3,3-tetramethyl-1-(3,3,4,4-tetramethylazepan-1-yl)butan-1-one
CID 143102277
1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 176781659
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 104937026
1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157

Frequently Asked Questions

What is the IUPAC name of 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one (CID 126750281) is 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN2CCCC2(C)C1.
What is the InChIKey of 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is CBOKSKLPTHANLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)11(16)14-8-9-15-7-5-6-13(15,4)10-14/h5-10H2,1-4H3.
What are the key properties of 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one?
1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).