(4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one

C14H23NO2 — CID 101062787

IUPAC(4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1N(C/C=C/C(C)(C)C)C(=O)OC1(C)C
InChIInChI=1S/C14H23NO2/c1-7-11-14(5,6)17-12(16)15(11)10-8-9-13(2,3)4/h7-9,11H,1,10H2,2-6H3/b9-8+/t11-/m0/s1
InChIKeyZQNLKMCADHAQMR-FBOQAHMBSA-N
MW237.34 g/mol
LogP3.37
Rot. Bonds3

About (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one

(4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 101062787) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID101062787
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1N(C/C=C/C(C)(C)C)C(=O)OC1(C)C
InChIInChI=1S/C14H23NO2/c1-7-11-14(5,6)17-12(16)15(11)10-8-9-13(2,3)4/h7-9,11H,1,10H2,2-6H3/b9-8+/t11-/m0/s1
InChIKeyZQNLKMCADHAQMR-FBOQAHMBSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-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)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one (CID 101062787) is (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one is C=C[C@@H]1N(C/C=C/C(C)(C)C)C(=O)OC1(C)C.
What is the InChIKey of (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is ZQNLKMCADHAQMR-FBOQAHMBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-7-11-14(5,6)17-12(16)15(11)10-8-9-13(2,3)4/h7-9,11H,1,10H2,2-6H3/b9-8+/t11-/m0/s1.
What are the key properties of (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 237.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-4,4-dimethylpent-2-enyl]-4-ethenyl-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101062787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).