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

C7H12N2O2 — CID 118404444

IUPAC5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESCN1CCC2NC(=O)OC2C1
InChIInChI=1S/C7H12N2O2/c1-9-3-2-5-6(4-9)11-7(10)8-5/h5-6H,2-4H2,1H3,(H,8,10)
InChIKeyFIKFQDFXQBQNTN-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.20
Rot. Bonds

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

5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (PubChem CID 118404444) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
PubChem CID118404444
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESCN1CCC2NC(=O)OC2C1
InChIInChI=1S/C7H12N2O2/c1-9-3-2-5-6(4-9)11-7(10)8-5/h5-6H,2-4H2,1H3,(H,8,10)
InChIKeyFIKFQDFXQBQNTN-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 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The IUPAC name of 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one (CID 118404444) is 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one.
What is the SMILES notation for 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The canonical SMILES for 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is CN1CCC2NC(=O)OC2C1.
What is the InChIKey of 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
The InChIKey is FIKFQDFXQBQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9-3-2-5-6(4-9)11-7(10)8-5/h5-6H,2-4H2,1H3,(H,8,10).
What are the key properties of 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one?
5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-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 5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one is sourced from PubChem (CID 118404444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).