(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine

C7H13NO — CID 124583499

IUPAC(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine
SMILESC=C[C@H]1COC(C)(C)N1
InChIInChI=1S/C7H13NO/c1-4-6-5-9-7(2,3)8-6/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyQSZLXMIXBDOUGF-LURJTMIESA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds1

About (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine

(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine (PubChem CID 124583499) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine
PubChem CID124583499
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine
SMILESC=C[C@H]1COC(C)(C)N1
InChIInChI=1S/C7H13NO/c1-4-6-5-9-7(2,3)8-6/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyQSZLXMIXBDOUGF-LURJTMIESA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
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

Allyloxazolidin
CID 19744927
5-Ethenyl-2,2-dimethyl-1,3-oxazolidine
CID 57128867
2-Methyl-2-prop-2-enyl-1,3-oxazolidine
CID 57172775
(4S)-2,2-dimethyl-4-[(E)-prop-1-enyl]-1,3-oxazolidine
CID 59984611
2,2-Bis(prop-2-enyl)-1,3-oxazolidine
CID 67095191
2-Ethenyl-4-methyl-1,3-oxazolidine
CID 68831810
2,2-Dimethyl-4-vinyl-oxazolidine
CID 89311339
(R)-2,2-dimethyl-4-vinyloxazolidine
CID 89372239
2,2-Dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
CID 123617138
2-Ethenyl-2-ethyl-1,3-oxazolidine
CID 130442949
(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-oxazolidine
CID 141210371
5-Methyl-6-oxa-4-azaspiro[2.4]hept-1-ene
CID 141782358

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine (CID 124583499) is (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine is C=C[C@H]1COC(C)(C)N1.
What is the InChIKey of (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is QSZLXMIXBDOUGF-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6-5-9-7(2,3)8-6/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1.
What are the key properties of (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine?
(4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 124583499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).