1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one

C10H18N2O — CID 82407616

IUPAC1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
SMILESCC(=O)CC1CN2CCCC2CN1
InChIInChI=1S/C10H18N2O/c1-8(13)5-9-7-12-4-2-3-10(12)6-11-9/h9-11H,2-7H2,1H3
InChIKeyZKVWPFVCLGYBSX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.40
Rot. Bonds2

About 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one

1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one (PubChem CID 82407616) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
PubChem CID82407616
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
SMILESCC(=O)CC1CN2CCCC2CN1
InChIInChI=1S/C10H18N2O/c1-8(13)5-9-7-12-4-2-3-10(12)6-11-9/h9-11H,2-7H2,1H3
InChIKeyZKVWPFVCLGYBSX-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-(chloromethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 130774969
methyl (3R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 10583633
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66927099
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66523127
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-one
CID 79943883
1-(azetidin-2-yl)propan-2-one
CID 91315786
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-2-one
CID 79943262
[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol
CID 59215758
(3S,8aR)-3-(2,3-dihydroindol-1-ylmethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66972661

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one?
The IUPAC name of 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one (CID 82407616) is 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one.
What is the SMILES notation for 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one?
The canonical SMILES for 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one is CC(=O)CC1CN2CCCC2CN1.
What is the InChIKey of 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one?
The InChIKey is ZKVWPFVCLGYBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)5-9-7-12-4-2-3-10(12)6-11-9/h9-11H,2-7H2,1H3.
What are the key properties of 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one?
1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one is sourced from PubChem (CID 82407616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).