(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C12H21NO2 — CID 139253389

IUPAC(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC/C=C/N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H21NO2/c1-4-5-6-7-8-13-11(10(2)3)9-15-12(13)14/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+/t11-/m1/s1
InChIKeyKACOXRYUAZIZNG-WSKFYRRCSA-N
MW211.30 g/mol
LogP3.17
Rot. Bonds5

About (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 139253389) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID139253389
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC/C=C/N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C12H21NO2/c1-4-5-6-7-8-13-11(10(2)3)9-15-12(13)14/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+/t11-/m1/s1
InChIKeyKACOXRYUAZIZNG-WSKFYRRCSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-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)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 139253389) is (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCC/C=C/N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KACOXRYUAZIZNG-WSKFYRRCSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-5-6-7-8-13-11(10(2)3)9-15-12(13)14/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+/t11-/m1/s1.
What are the key properties of (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139253389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).