(4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one

C12H19NO2 — CID 45094926

IUPAC(4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@H](CC)OC(=O)N1CC(=C)C
InChIInChI=1S/C12H19NO2/c1-5-7-10-11(6-2)15-12(14)13(10)8-9(3)4/h5,10-11H,1,3,6-8H2,2,4H3/t10-,11-/m0/s1
InChIKeyDHIHCYWZTGPLPU-QWRGUYRKSA-N
MW209.29 g/mol
LogP2.74
Rot. Bonds5

About (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one

(4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 45094926) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID45094926
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@H](CC)OC(=O)N1CC(=C)C
InChIInChI=1S/C12H19NO2/c1-5-7-10-11(6-2)15-12(14)13(10)8-9(3)4/h5,10-11H,1,3,6-8H2,2,4H3/t10-,11-/m0/s1
InChIKeyDHIHCYWZTGPLPU-QWRGUYRKSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(1S,8aS)-1-ethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11263711
(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,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
[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]hept-6-en-3-yl] acetate
CID 25137291
Ethyl 2-buta-1,3-dien-2-ylpyrrolidine-1-carboxylate
CID 101203262
methyl (2R,4R,5R)-2-tert-butyl-5-methyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 135040870
tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10085341
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11506988
Tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22474793

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 45094926) is (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@H]1[C@H](CC)OC(=O)N1CC(=C)C.
What is the InChIKey of (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is DHIHCYWZTGPLPU-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-7-10-11(6-2)15-12(14)13(10)8-9(3)4/h5,10-11H,1,3,6-8H2,2,4H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-3-(2-methylprop-2-enyl)-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45094926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).