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

C10H15NO3 — CID 11310110

IUPAC(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)O[C@H](CO)[C@@H]1C=C
InChIInChI=1S/C10H15NO3/c1-3-5-6-11-8(4-2)9(7-12)14-10(11)13/h3-4,8-9,12H,1-2,5-7H2/t8-,9+/m0/s1
InChIKeyXHVRNBJAIQYAIM-DTWKUNHWSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds5

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

(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 11310110) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID11310110
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)O[C@H](CO)[C@@H]1C=C
InChIInChI=1S/C10H15NO3/c1-3-5-6-11-8(4-2)9(7-12)14-10(11)13/h3-4,8-9,12H,1-2,5-7H2/t8-,9+/m0/s1
InChIKeyXHVRNBJAIQYAIM-DTWKUNHWSA-N
XLogP0.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
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

(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 11240840
(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11298337
(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 24749118
(4S,5S)-4,5-bis(ethenyl)-3-[(2R)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 121006507
3-Allyl-5-hydroxymethyl-oxazolidin-2-one
CID 11344149
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-N-prop-2-enylcarbamate
CID 16069459
(5S)-5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 29936914
(5R)-5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 29936919
tert-butyl N-(4,5-dihydroxypent-1-en-3-yl)-N-prop-2-enylcarbamate
CID 73232151
4-Ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
CID 138470278
[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]-prop-2-enylcarbamic acid
CID 143391184
(4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylic acid
CID 151067548

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 11310110) is (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is C=CCCN1C(=O)O[C@H](CO)[C@@H]1C=C.
What is the InChIKey of (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is XHVRNBJAIQYAIM-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-5-6-11-8(4-2)9(7-12)14-10(11)13/h3-4,8-9,12H,1-2,5-7H2/t8-,9+/m0/s1.
What are the key properties of (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11310110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).