(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one

C8H11NO2 — CID 129497488

IUPAC(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
SMILESC#C[C@H]1OC(=O)NCC1(C)C
InChIInChI=1S/C8H11NO2/c1-4-6-8(2,3)5-9-7(10)11-6/h1,6H,5H2,2-3H3,(H,9,10)/t6-/m1/s1
InChIKeyANCRCTMSYXQYKD-ZCFIWIBFSA-N
MW153.18 g/mol
LogP0.75
Rot. Bonds

About (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one

(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 129497488) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID129497488
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
SMILESC#C[C@H]1OC(=O)NCC1(C)C
InChIInChI=1S/C8H11NO2/c1-4-6-8(2,3)5-9-7(10)11-6/h1,6H,5H2,2-3H3,(H,9,10)/t6-/m1/s1
InChIKeyANCRCTMSYXQYKD-ZCFIWIBFSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Tert-butyl-1,3-oxazinan-2-one
CID 105430655
6-Ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 121207290
6-Ethynyl-3,5,5-trimethyl-1,3-oxazinan-2-one
CID 121207291
3-Ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 121207292
(6S)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 129497480
(6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 129499107
(6S)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 129499108
(6R)-6-ethynyl-3,5,5-trimethyl-1,3-oxazinan-2-one
CID 129500544
(6S)-6-ethynyl-3,5,5-trimethyl-1,3-oxazinan-2-one
CID 129500545

Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one (CID 129497488) is (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one is C#C[C@H]1OC(=O)NCC1(C)C.
What is the InChIKey of (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is ANCRCTMSYXQYKD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-6-8(2,3)5-9-7(10)11-6/h1,6H,5H2,2-3H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
(6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 129497488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).