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

C7H11NO2 — CID 15632306

IUPAC(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C7H11NO2/c1-3-4-6-5(2)10-7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyFHGWOVWKQOAPPD-NTSWFWBYSA-N
MW141.17 g/mol
LogP1.06
Rot. Bonds2

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

(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 15632306) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID15632306
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C7H11NO2/c1-3-4-6-5(2)10-7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyFHGWOVWKQOAPPD-NTSWFWBYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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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)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 10888159
(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11480568
(4R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11550047
(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one
CID 14941759
(4S,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632305
(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one
CID 24749117
(4R,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 55286559
(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 102072752
(4R,5R)-4-tert-butyl-5-ethenyl-1,3-oxazolidin-2-one
CID 102338359

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 15632306) is (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@H]1NC(=O)O[C@H]1C.
What is the InChIKey of (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is FHGWOVWKQOAPPD-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-6-5(2)10-7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6+/m0/s1.
What are the key properties of (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15632306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).