1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C8H14N2O2 — CID 23122055

IUPAC1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC1(C)OC(=O)N2CCNCC21
InChIInChI=1S/C8H14N2O2/c1-8(2)6-5-9-3-4-10(6)7(11)12-8/h6,9H,3-5H2,1-2H3
InChIKeyVCSKBGUWXIZMGD-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.19
Rot. Bonds

About 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one

1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 23122055) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID23122055
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC1(C)OC(=O)N2CCNCC21
InChIInChI=1S/C8H14N2O2/c1-8(2)6-5-9-3-4-10(6)7(11)12-8/h6,9H,3-5H2,1-2H3
InChIKeyVCSKBGUWXIZMGD-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

8a-methyl-hexahydro-1H-(1,3)oxazolo(3,4-a)piperazin-3-one
CID 18685155
rac-tert-butyl (4aR,7aS)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 22875335
rac-tert-butyl (4aR,7aR)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 67991858
tert-butyl octahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 71710962
rac-tert-butyl (4aR,7aS)-octahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylate
CID 75531151
t-Butyl (3aS,7aS)-rel-1,2,3,3a,4,5,7,7a-octahydropyrrolo(2,3-c)pyridine-6-carboxylate
CID 86332689
rac-tert-butyl (3aR,7aS)-octahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate
CID 95396678
rac-tert-butyl (4aR,7aS)-octahydrofuro(3,4-b)piperazine-1-carboxylate
CID 146081999
(S)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 23655052
Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 22562207
rac-tert-butyl (4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]piperazine-6-carboxylate
CID 146081996
(R)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 27282253

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 23122055) is 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC1(C)OC(=O)N2CCNCC21.
What is the InChIKey of 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is VCSKBGUWXIZMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2)6-5-9-3-4-10(6)7(11)12-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 23122055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).