1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C10H15NO2 — CID 78076797

IUPAC1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC1=C(C)CN2C(=O)OC(C)C2C1
InChIInChI=1S/C10H15NO2/c1-6-4-9-8(3)13-10(12)11(9)5-7(6)2/h8-9H,4-5H2,1-3H3
InChIKeyGOKAHIUUIVVQLQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.94
Rot. Bonds

About 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 78076797) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID78076797
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC1=C(C)CN2C(=O)OC(C)C2C1
InChIInChI=1S/C10H15NO2/c1-6-4-9-8(3)13-10(12)11(9)5-7(6)2/h8-9H,4-5H2,1-3H3
InChIKeyGOKAHIUUIVVQLQ-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one with MolForge

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Related Compounds

(1S,8aS)-1-ethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11263711
(1R,8aR)-1-methyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11768774
(1R,8aR)-1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 71465827
(7aS)-3-methyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 89226958
(3aR,7aS)-3-ethyl-3a,6,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11147938
(3aR,7aS)-3-butyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11298510
(3aR,7aS)-3-butyl-3a,6,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11446892
(3aR,7aS)-3-ethyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11816070
(4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101110424
(1S,8aS)-1-ethyl-6-methyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 101110425

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 78076797) is 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CC1=C(C)CN2C(=O)OC(C)C2C1.
What is the InChIKey of 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is GOKAHIUUIVVQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-4-9-8(3)13-10(12)11(9)5-7(6)2/h8-9H,4-5H2,1-3H3.
What are the key properties of 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 181.23 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 78076797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).