1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone

C11H19NO2 — CID 13249521

IUPAC1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1CCOC1CCC=C(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)5-4-6-11-12(10(3)13)7-8-14-11/h5,11H,4,6-8H2,1-3H3
InChIKeySIPNSOYQUASZFQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds3

About 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone

1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone (PubChem CID 13249521) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone
PubChem CID13249521
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1CCOC1CCC=C(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)5-4-6-11-12(10(3)13)7-8-14-11/h5,11H,4,6-8H2,1-3H3
InChIKeySIPNSOYQUASZFQ-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
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 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone (CID 13249521) is 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone is CC(=O)N1CCOC1CCC=C(C)C.
What is the InChIKey of 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is SIPNSOYQUASZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)5-4-6-11-12(10(3)13)7-8-14-11/h5,11H,4,6-8H2,1-3H3.
What are the key properties of 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone?
1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpent-3-enyl)-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 13249521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).