4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one

C8H14NO3P — CID 23405613

IUPAC4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one
SMILESCP(C)(=O)C/C=C/C1COC(=O)N1
InChIInChI=1S/C8H14NO3P/c1-13(2,11)5-3-4-7-6-12-8(10)9-7/h3-4,7H,5-6H2,1-2H3,(H,9,10)/b4-3+
InChIKeyGWYRNMPCJJXIEP-ONEGZZNKSA-N
MW203.18 g/mol
LogP1.27
Rot. Bonds3

About 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one

4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 23405613) has the molecular formula C8H14NO3P and a molecular weight of 203.18 g/mol. Its IUPAC name is 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID23405613
Molecular FormulaC8H14NO3P
Molecular Weight203.18 g/mol
Exact Mass203.07
IUPAC Name4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one
SMILESCP(C)(=O)C/C=C/C1COC(=O)N1
InChIInChI=1S/C8H14NO3P/c1-13(2,11)5-3-4-7-6-12-8(10)9-7/h3-4,7H,5-6H2,1-2H3,(H,9,10)/b4-3+
InChIKeyGWYRNMPCJJXIEP-ONEGZZNKSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 14840510
4-[(E)-3-diethoxyphosphorylprop-1-enyl]-1,3-oxazolidin-2-one
CID 22267092
4-(3-Diethoxyphosphorylprop-1-enyl)-1,3-oxazolidin-2-one
CID 90840200
4-(3,3-Dimethylbut-1-enyl)-1,3-oxazolidin-2-one
CID 123173596
4-(3-Methylbut-1-enyl)-1,3-oxazolidin-2-one
CID 123594387
4-(But-1-EN-1-YL)-1,3-oxazolidin-2-one
CID 131241120
(4R)-4-[(Z)-hept-1-enyl]-1,3-oxazolidin-2-one
CID 176163680
(4R)-4-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 55287970
4-[(Z)-but-1-enyl]-1,3-oxazolidin-2-one
CID 55300583
4-But-1-enyl-1,3-oxazolidin-2-one
CID 71428103
(4R)-4-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
CID 100950588
(4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one
CID 100950589

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one (CID 23405613) is 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one is CP(C)(=O)C/C=C/C1COC(=O)N1.
What is the InChIKey of 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is GWYRNMPCJJXIEP-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14NO3P/c1-13(2,11)5-3-4-7-6-12-8(10)9-7/h3-4,7H,5-6H2,1-2H3,(H,9,10)/b4-3+.
What are the key properties of 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one?
4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 203.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23405613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).