3-butyl-4-ethenyl-1,3-oxazolidin-2-one

C9H15NO2 — CID 22891809

IUPAC3-butyl-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1COC(=O)N1CCCC
InChIInChI=1S/C9H15NO2/c1-3-5-6-10-8(4-2)7-12-9(10)11/h4,8H,2-3,5-7H2,1H3
InChIKeyFZLHSOUXFOTLDH-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds4

About 3-butyl-4-ethenyl-1,3-oxazolidin-2-one

3-butyl-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 22891809) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-butyl-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-butyl-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID22891809
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-butyl-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1COC(=O)N1CCCC
InChIInChI=1S/C9H15NO2/c1-3-5-6-10-8(4-2)7-12-9(10)11/h4,8H,2-3,5-7H2,1H3
InChIKeyFZLHSOUXFOTLDH-UHFFFAOYSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
Vinyl-Methyl-Oxazolidinon
CID 13928327
3-But-3-enyl-1,3-oxazolidin-2-one
CID 45087907
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717
(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 11240840
(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
CID 11435514
(4R,5R)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
CID 15177633
(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
CID 15177634
3-Hexa-1,2,5-trien-3-yl-1,3-oxazolidin-2-one
CID 135080253
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-butyl-4-ethenyl-1,3-oxazolidin-2-one (CID 22891809) is 3-butyl-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-butyl-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-butyl-4-ethenyl-1,3-oxazolidin-2-one is C=CC1COC(=O)N1CCCC.
What is the InChIKey of 3-butyl-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is FZLHSOUXFOTLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-6-10-8(4-2)7-12-9(10)11/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 3-butyl-4-ethenyl-1,3-oxazolidin-2-one?
3-butyl-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22891809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).