1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one

C8H14N2O2 — CID 18685037

IUPAC1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESCN1C(=O)OC2(C)CNCCC12
InChIInChI=1S/C8H14N2O2/c1-8-5-9-4-3-6(8)10(2)7(11)12-8/h6,9H,3-5H2,1-2H3
InChIKeyRJORZKZPEJUGLY-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.19
Rot. Bonds

About 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one

1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one (PubChem CID 18685037) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one.

Molecular Properties

Compound Name1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one
PubChem CID18685037
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESCN1C(=O)OC2(C)CNCCC12
InChIInChI=1S/C8H14N2O2/c1-8-5-9-4-3-6(8)10(2)7(11)12-8/h6,9H,3-5H2,1-2H3
InChIKeyRJORZKZPEJUGLY-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

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Frequently Asked Questions

What is the IUPAC name of 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The IUPAC name of 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one (CID 18685037) is 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one.
What is the SMILES notation for 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The canonical SMILES for 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one is CN1C(=O)OC2(C)CNCCC12.
What is the InChIKey of 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The InChIKey is RJORZKZPEJUGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8-5-9-4-3-6(8)10(2)7(11)12-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one?
1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-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 1,3a-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-one is sourced from PubChem (CID 18685037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).