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

C10H15NO2 — CID 129499107

IUPAC(6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
SMILESC#C[C@H]1OC(=O)N(CC)CC1(C)C
InChIInChI=1S/C10H15NO2/c1-5-8-10(3,4)7-11(6-2)9(12)13-8/h1,8H,6-7H2,2-4H3/t8-/m1/s1
InChIKeyIKSQHNYVIURELP-MRVPVSSYSA-N
MW181.23 g/mol
LogP1.49
Rot. Bonds1

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

(6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 129499107) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID129499107
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one
SMILESC#C[C@H]1OC(=O)N(CC)CC1(C)C
InChIInChI=1S/C10H15NO2/c1-5-8-10(3,4)7-11(6-2)9(12)13-8/h1,8H,6-7H2,2-4H3/t8-/m1/s1
InChIKeyIKSQHNYVIURELP-MRVPVSSYSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

6-Ethynyl-3-methyl-1,3-oxazinan-2-one
CID 88889842
3-(3,3-Dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one
CID 89161085
tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate
CID 146598421
Tert-butyl 4-but-3-yn-2-yloxypiperidine-1-carboxylate
CID 146598423
Tert-butyl 4-but-3-ynoxypiperidine-1-carboxylate
CID 146598894
tert-butyl 4-[(2S)-but-3-yn-2-yl]oxypiperidine-1-carboxylate
CID 146599416
Tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate
CID 169312122
3-Pent-4-ynyl-1,3-oxazinan-2-one
CID 106220358
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
6-Ethynyl-3-isopropyl-5,5-dimethyl-1,3-oxazinan-2-one
CID 121207293

Frequently Asked Questions

What is the IUPAC name of (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one (CID 129499107) is (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one is C#C[C@H]1OC(=O)N(CC)CC1(C)C.
What is the InChIKey of (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is IKSQHNYVIURELP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-8-10(3,4)7-11(6-2)9(12)13-8/h1,8H,6-7H2,2-4H3/t8-/m1/s1.
What are the key properties of (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one?
(6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-ethyl-6-ethynyl-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 129499107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).