(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one

C9H13NO2 — CID 101062784

IUPAC(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1COC(=O)N1C/C=C/C
InChIInChI=1S/C9H13NO2/c1-3-5-6-10-8(4-2)7-12-9(10)11/h3-5,8H,2,6-7H2,1H3/b5-3+/t8-/m0/s1
InChIKeyRDWDEQXJFDRZPC-WGAJWPLOSA-N
MW167.21 g/mol
LogP1.57
Rot. Bonds3

About (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one

(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 101062784) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID101062784
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1COC(=O)N1C/C=C/C
InChIInChI=1S/C9H13NO2/c1-3-5-6-10-8(4-2)7-12-9(10)11/h3-5,8H,2,6-7H2,1H3/b5-3+/t8-/m0/s1
InChIKeyRDWDEQXJFDRZPC-WGAJWPLOSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.57
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 (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 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
Vinyl-Methyl-Oxazolidinon
CID 13928327
1,1-Dimethylethyl (4S)-2,2-dimethyl-4-(1Z)-1-propen-1-yl-3-oxazolidinecarboxylate
CID 11107506
5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11344018
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
(S)-1,7a-dihydropyrrolo[1,2-c]oxazol-3(5H)-one
CID 11535557
N-methylallyloxazolidinone
CID 132280368
3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one
CID 132539503

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one (CID 101062784) is (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one is C=C[C@H]1COC(=O)N1C/C=C/C.
What is the InChIKey of (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is RDWDEQXJFDRZPC-WGAJWPLOSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-5-6-10-8(4-2)7-12-9(10)11/h3-5,8H,2,6-7H2,1H3/b5-3+/t8-/m0/s1.
What are the key properties of (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101062784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).