5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one

C9H15NO2 — CID 144545689

IUPAC5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one
SMILESC/C=C\C1NC(=O)OCC1(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-7-9(2,3)6-12-8(11)10-7/h4-5,7H,6H2,1-3H3,(H,10,11)/b5-4-
InChIKeyVQAVSJQKJPCNTR-PLNGDYQASA-N
MW169.22 g/mol
LogP1.70
Rot. Bonds1

About 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one

5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one (PubChem CID 144545689) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one
PubChem CID144545689
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one
SMILESC/C=C\C1NC(=O)OCC1(C)C
InChIInChI=1S/C9H15NO2/c1-4-5-7-9(2,3)6-12-8(11)10-7/h4-5,7H,6H2,1-3H3,(H,10,11)/b5-4-
InChIKeyVQAVSJQKJPCNTR-PLNGDYQASA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171188455
(4R)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171187073
(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188148
(4R)-4-(2-bromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186085
(4S)-5,5-dimethyl-4-(2,3,5,6-tetrafluorophenyl)-1,3-oxazinan-2-one
CID 171188505
(4S)-4-(3,4-dibromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187418
(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187242
(4R)-4-(4-bromo-2,6-difluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186768
(4R)-5,5-dimethyl-4-(2-methylphenyl)-1,3-oxazinan-2-one
CID 171188493
(4R)-5,5-dimethyl-4-(2,4,6-trihydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187522
(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one
CID 171186947
(4S)-4-(2,6-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187548

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one?
The IUPAC name of 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one (CID 144545689) is 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one?
The canonical SMILES for 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one is C/C=C\C1NC(=O)OCC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one?
The InChIKey is VQAVSJQKJPCNTR-PLNGDYQASA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-7-9(2,3)6-12-8(11)10-7/h4-5,7H,6H2,1-3H3,(H,10,11)/b5-4-.
What are the key properties of 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one?
5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 144545689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).