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

C7H11NO3 — CID 10888159

IUPAC(4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1OC(=O)N[C@H]1OC
InChIInChI=1S/C7H11NO3/c1-3-4-5-6(10-2)8-7(9)11-5/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyQYWAVRDICZEAFN-WDSKDSINSA-N
MW157.17 g/mol
LogP0.64
Rot. Bonds3

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

(4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 10888159) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID10888159
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1OC(=O)N[C@H]1OC
InChIInChI=1S/C7H11NO3/c1-3-4-5-6(10-2)8-7(9)11-5/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyQYWAVRDICZEAFN-WDSKDSINSA-N
XLogP0.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-But-3-enyl-1,3-oxazolidin-2-one
CID 89405757
(4R,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11116158
(4R,5R)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 10877377
(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11480568
(4S,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632305
(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632306
(4R,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 55286559
(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 130984881
(4R)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 640427
5-Methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632304
(4S,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632307
5-Prop-2-enyl-1,3-oxazolidin-2-one
CID 18442702

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one (CID 10888159) is (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@@H]1OC(=O)N[C@H]1OC.
What is the InChIKey of (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is QYWAVRDICZEAFN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-5-6(10-2)8-7(9)11-5/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10888159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).