(4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one

C12H21NO2 — CID 139191332

IUPAC(4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(CCCC)[C@H]1NC(=O)O[C@H]1C(C)C
InChIInChI=1S/C12H21NO2/c1-5-6-7-9(4)10-11(8(2)3)15-12(14)13-10/h8,10-11H,4-7H2,1-3H3,(H,13,14)/t10-,11+/m1/s1
InChIKeyZWDPSJSCTRLDOI-MNOVXSKESA-N
MW211.30 g/mol
LogP2.87
Rot. Bonds5

About (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one

(4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 139191332) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID139191332
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(CCCC)[C@H]1NC(=O)O[C@H]1C(C)C
InChIInChI=1S/C12H21NO2/c1-5-6-7-9(4)10-11(8(2)3)15-12(14)13-10/h8,10-11H,4-7H2,1-3H3,(H,13,14)/t10-,11+/m1/s1
InChIKeyZWDPSJSCTRLDOI-MNOVXSKESA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
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 (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one (CID 139191332) is (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one is C=C(CCCC)[C@H]1NC(=O)O[C@H]1C(C)C.
What is the InChIKey of (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZWDPSJSCTRLDOI-MNOVXSKESA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-6-7-9(4)10-11(8(2)3)15-12(14)13-10/h8,10-11H,4-7H2,1-3H3,(H,13,14)/t10-,11+/m1/s1.
What are the key properties of (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one?
(4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139191332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).