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

C7H12N2O2 — CID 18685155

IUPAC8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC12CNCCN1C(=O)OC2
InChIInChI=1S/C7H12N2O2/c1-7-4-8-2-3-9(7)6(10)11-5-7/h8H,2-5H2,1H3
InChIKeyDCWDUMDMCQTTCY-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.20
Rot. Bonds

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

8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 18685155) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID18685155
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC12CNCCN1C(=O)OC2
InChIInChI=1S/C7H12N2O2/c1-7-4-8-2-3-9(7)6(10)11-5-7/h8H,2-5H2,1H3
InChIKeyDCWDUMDMCQTTCY-UHFFFAOYSA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 18685155) is 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC12CNCCN1C(=O)OC2.
What is the InChIKey of 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is DCWDUMDMCQTTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7-4-8-2-3-9(7)6(10)11-5-7/h8H,2-5H2,1H3.
What are the key properties of 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 156.18 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 18685155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).