4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one

C9H15NO2 — CID 42643983

IUPAC4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one
SMILESCC/C=C/CN1C(=O)OCC1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyKWBHIJGMWYXBAG-SNAWJCMRSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one

4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 42643983) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one
PubChem CID42643983
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one
SMILESCC/C=C/CN1C(=O)OCC1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyKWBHIJGMWYXBAG-SNAWJCMRSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one (CID 42643983) is 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one is CC/C=C/CN1C(=O)OCC1C.
What is the InChIKey of 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is KWBHIJGMWYXBAG-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h4-5,8H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one?
4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42643983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).