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

C9H16N2O2 — CID 18684994

IUPAC1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESCN1CCC2N(C)C(=O)OC2(C)C1
InChIInChI=1S/C9H16N2O2/c1-9-6-10(2)5-4-7(9)11(3)8(12)13-9/h7H,4-6H2,1-3H3
InChIKeyPIHICQKXGILZFP-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.53
Rot. Bonds

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

1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (PubChem CID 18684994) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.

Molecular Properties

Compound Name1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
PubChem CID18684994
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESCN1CCC2N(C)C(=O)OC2(C)C1
InChIInChI=1S/C9H16N2O2/c1-9-6-10(2)5-4-7(9)11(3)8(12)13-9/h7H,4-6H2,1-3H3
InChIKeyPIHICQKXGILZFP-UHFFFAOYSA-N
XLogP0.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The IUPAC name of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (CID 18684994) is 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.
What is the SMILES notation for 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The canonical SMILES for 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is CN1CCC2N(C)C(=O)OC2(C)C1.
What is the InChIKey of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The InChIKey is PIHICQKXGILZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9-6-10(2)5-4-7(9)11(3)8(12)13-9/h7H,4-6H2,1-3H3.
What are the key properties of 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,5-trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is sourced from PubChem (CID 18684994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).