(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one

C14H21NO4 — CID 11065411

IUPAC(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)OC[C@@H]1[C@H]1OC(C)(C)O[C@@H]1C=C
InChIInChI=1S/C14H21NO4/c1-5-7-8-15-10(9-17-13(15)16)12-11(6-2)18-14(3,4)19-12/h5-6,10-12H,1-2,7-9H2,3-4H3/t10-,11-,12-/m1/s1
InChIKeyBTSJDISZUUWTNE-IJLUTSLNSA-N
MW267.32 g/mol
LogP2.09
Rot. Bonds5

About (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one

(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one (PubChem CID 11065411) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
PubChem CID11065411
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCCN1C(=O)OC[C@@H]1[C@H]1OC(C)(C)O[C@@H]1C=C
InChIInChI=1S/C14H21NO4/c1-5-7-8-15-10(9-17-13(15)16)12-11(6-2)18-14(3,4)19-12/h5-6,10-12H,1-2,7-9H2,3-4H3/t10-,11-,12-/m1/s1
InChIKeyBTSJDISZUUWTNE-IJLUTSLNSA-N
XLogP2.09
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one (CID 11065411) is (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one is C=CCCN1C(=O)OC[C@@H]1[C@H]1OC(C)(C)O[C@@H]1C=C.
What is the InChIKey of (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is BTSJDISZUUWTNE-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-7-8-15-10(9-17-13(15)16)12-11(6-2)18-14(3,4)19-12/h5-6,10-12H,1-2,7-9H2,3-4H3/t10-,11-,12-/m1/s1.
What are the key properties of (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one?
(4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 267.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-but-3-enyl-4-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11065411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).