(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C6H9NO3 — CID 55300645

IUPAC(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N[C@@H]1CO
InChIInChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)/t4-,5+/m1/s1
InChIKeyBQBOIWRWDCJNHC-UHNVWZDZSA-N
MW143.14 g/mol
LogP-0.36
Rot. Bonds2

About (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 55300645) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID55300645
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N[C@@H]1CO
InChIInChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)/t4-,5+/m1/s1
InChIKeyBQBOIWRWDCJNHC-UHNVWZDZSA-N
XLogP-0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one
CID 16216630
(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one
CID 24749117
(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 102072752
(Z)-3-[(4S,5R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-5-yl]prop-2-enal
CID 134837745
(4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 134950685
(4S,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 14841707
(4R)-4-[(2R)-2,5-dihydrofuran-2-yl]-1,3-oxazolidin-2-one
CID 46189441
tert-butyl N-[(2S,3R)-1-hydroxy-3-methoxypent-4-en-2-yl]carbamate
CID 88591944
allyl ((2S,3S)-1,3-dihydroxybutan-2-yl)carbamate
CID 88907307
(4S)-4-[(E,1R)-1-hydroxybut-2-enyl]-1,3-oxazolidin-2-one
CID 91982680
4-(Hydroxymethyl)-5-prop-1-enyl-1,3-oxazolidin-2-one
CID 123153936
5-(Hydroxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 130019764

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 55300645) is (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is C=C[C@@H]1OC(=O)N[C@@H]1CO.
What is the InChIKey of (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is BQBOIWRWDCJNHC-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-5-4(3-8)7-6(9)10-5/h2,4-5,8H,1,3H2,(H,7,9)/t4-,5+/m1/s1.
What are the key properties of (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 143.14 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 55300645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).