(4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one

C8H13NO2 — CID 89043950

IUPAC(4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one
SMILESC=C(CC)[C@@H]1NC(=O)O[C@@H]1C
InChIInChI=1S/C8H13NO2/c1-4-5(2)7-6(3)11-8(10)9-7/h6-7H,2,4H2,1,3H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyNCPHQZXYQXPOOJ-RQJHMYQMSA-N
MW155.20 g/mol
LogP1.45
Rot. Bonds2

About (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one

(4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 89043950) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one
PubChem CID89043950
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one
SMILESC=C(CC)[C@@H]1NC(=O)O[C@@H]1C
InChIInChI=1S/C8H13NO2/c1-4-5(2)7-6(3)11-8(10)9-7/h6-7H,2,4H2,1,3H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyNCPHQZXYQXPOOJ-RQJHMYQMSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one (CID 89043950) is (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one is C=C(CC)[C@@H]1NC(=O)O[C@@H]1C.
What is the InChIKey of (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is NCPHQZXYQXPOOJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-5(2)7-6(3)11-8(10)9-7/h6-7H,2,4H2,1,3H3,(H,9,10)/t6-,7+/m1/s1.
What are the key properties of (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one?
(4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-but-1-en-2-yl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89043950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).