3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one

C9H15NO2 — CID 11521151

IUPAC3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C)C(C)N1CCOC1=O
InChIInChI=1S/C9H15NO2/c1-4-7(2)8(3)10-5-6-12-9(10)11/h4,8H,5-6H2,1-3H3/b7-4+
InChIKeyZFMHHSAQIBRFHO-QPJJXVBHSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds2

About 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one

3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 11521151) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID11521151
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C)C(C)N1CCOC1=O
InChIInChI=1S/C9H15NO2/c1-4-7(2)8(3)10-5-6-12-9(10)11/h4,8H,5-6H2,1-3H3/b7-4+
InChIKeyZFMHHSAQIBRFHO-QPJJXVBHSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one (CID 11521151) is 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one is C/C=C(\C)C(C)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZFMHHSAQIBRFHO-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-7(2)8(3)10-5-6-12-9(10)11/h4,8H,5-6H2,1-3H3/b7-4+.
What are the key properties of 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one?
3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11521151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).