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

C8H13NO2 — CID 100950589

IUPAC(4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)/C=C/[C@@H]1COC(=O)N1
InChIInChI=1S/C8H13NO2/c1-6(2)3-4-7-5-11-8(10)9-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)/b4-3+/t7-/m1/s1
InChIKeyXRPGDBGNFRWJIO-KGGZQZJCSA-N
MW155.20 g/mol
LogP1.31
Rot. Bonds2

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

(4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 100950589) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one
PubChem CID100950589
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)/C=C/[C@@H]1COC(=O)N1
InChIInChI=1S/C8H13NO2/c1-6(2)3-4-7-5-11-8(10)9-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)/b4-3+/t7-/m1/s1
InChIKeyXRPGDBGNFRWJIO-KGGZQZJCSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one (CID 100950589) is (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one is CC(C)/C=C/[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is XRPGDBGNFRWJIO-KGGZQZJCSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)3-4-7-5-11-8(10)9-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)/b4-3+/t7-/m1/s1.
What are the key properties of (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one?
(4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-3-methylbut-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).