4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C8H13NO3 — CID 23157098

IUPAC4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C8H13NO3/c1-4-6-5-12-8(2,3)9(6)7(10)11/h4,6H,1,5H2,2-3H3,(H,10,11)
InChIKeyBWSLBYCSDICIFT-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.29
Rot. Bonds1

About 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 23157098) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID23157098
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESC=CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C8H13NO3/c1-4-6-5-12-8(2,3)9(6)7(10)11/h4,6H,1,5H2,2-3H3,(H,10,11)
InChIKeyBWSLBYCSDICIFT-UHFFFAOYSA-N
XLogP1.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.29
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

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
CID 10697188
tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10807963
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11506988
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
Vinyl-Methyl-Oxazolidinon
CID 13928327
(4S)-4-(2,2-difluoroethenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 169779280
1,1-Dimethylethyl (4S)-2,2-dimethyl-4-(1Z)-1-propen-1-yl-3-oxazolidinecarboxylate
CID 11107506
(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 11240840
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101
tert-butyl (4S)-4-[(E)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101097547
4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one
CID 42643977

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 23157098) is 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is C=CC1COC(C)(C)N1C(=O)O.
What is the InChIKey of 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is BWSLBYCSDICIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-6-5-12-8(2,3)9(6)7(10)11/h4,6H,1,5H2,2-3H3,(H,10,11).
What are the key properties of 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 23157098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).