6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one

C11H17NO2 — CID 121207293

IUPAC6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one
SMILESC#CC1OC(=O)N(C(C)C)CC1(C)C
InChIInChI=1S/C11H17NO2/c1-6-9-11(4,5)7-12(8(2)3)10(13)14-9/h1,8-9H,7H2,2-5H3
InChIKeyBREBJYPJZJGPAB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds1

About 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one

6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 121207293) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one
PubChem CID121207293
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one
SMILESC#CC1OC(=O)N(C(C)C)CC1(C)C
InChIInChI=1S/C11H17NO2/c1-6-9-11(4,5)7-12(8(2)3)10(13)14-9/h1,8-9H,7H2,2-5H3
InChIKeyBREBJYPJZJGPAB-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one (CID 121207293) is 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one is C#CC1OC(=O)N(C(C)C)CC1(C)C.
What is the InChIKey of 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is BREBJYPJZJGPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-9-11(4,5)7-12(8(2)3)10(13)14-9/h1,8-9H,7H2,2-5H3.
What are the key properties of 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one?
6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-5,5-dimethyl-3-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 121207293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).