3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one

C10H15NO2 — CID 102384809

IUPAC3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESC=C1CCC2OCC(C)(C)N2C1=O
InChIInChI=1S/C10H15NO2/c1-7-4-5-8-11(9(7)12)10(2,3)6-13-8/h8H,1,4-6H2,2-3H3
InChIKeyPVFQGXDDRGOSBY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds

About 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one

3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one (PubChem CID 102384809) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
PubChem CID102384809
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESC=C1CCC2OCC(C)(C)N2C1=O
InChIInChI=1S/C10H15NO2/c1-7-4-5-8-11(9(7)12)10(2,3)6-13-8/h8H,1,4-6H2,2-3H3
InChIKeyPVFQGXDDRGOSBY-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The IUPAC name of 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one (CID 102384809) is 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one is C=C1CCC2OCC(C)(C)N2C1=O.
What is the InChIKey of 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The InChIKey is PVFQGXDDRGOSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-4-5-8-11(9(7)12)10(2,3)6-13-8/h8H,1,4-6H2,2-3H3.
What are the key properties of 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one has a molecular weight of 181.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-methylidene-2,7,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 102384809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).