(4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one

C10H14FNO3 — CID 144602733

IUPAC(4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one
SMILESC/C=C(\C)[C@@H]1COC(=O)N1C(=O)C(C)F
InChIInChI=1S/C10H14FNO3/c1-4-6(2)8-5-15-10(14)12(8)9(13)7(3)11/h4,7-8H,5H2,1-3H3/b6-4+/t7?,8-/m0/s1
InChIKeyYILINDSGGSUJRL-WXUBYYRTSA-N
MW215.22 g/mol
LogP1.66
Rot. Bonds2

About (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one

(4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one (PubChem CID 144602733) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one
PubChem CID144602733
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name(4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one
SMILESC/C=C(\C)[C@@H]1COC(=O)N1C(=O)C(C)F
InChIInChI=1S/C10H14FNO3/c1-4-6(2)8-5-15-10(14)12(8)9(13)7(3)11/h4,7-8H,5H2,1-3H3/b6-4+/t7?,8-/m0/s1
InChIKeyYILINDSGGSUJRL-WXUBYYRTSA-N
XLogP1.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135027485
3-(2,5-Dimethylhex-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123839471
4-But-2-en-2-yl-3-methyl-1,3-oxazolidin-2-one
CID 124032277
(4S)-4-[(2E,4Z)-hepta-2,4-dien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one
CID 143075179
ethane;(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one
CID 143075181
(4S)-4-cyclohepta-1,4,6-trien-1-yl-3-propanoyl-1,3-oxazolidin-2-one
CID 143075183
ethene;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 144602735
3-[(E)-3-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 11521151
(4S)-3-[(E)-pent-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11769776
(4S)-3-[(E)-2-methylpent-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 57516167
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-propanoyl-1,3-oxazolidin-2-one
CID 143075182
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 144602736

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one (CID 144602733) is (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one is C/C=C(\C)[C@@H]1COC(=O)N1C(=O)C(C)F.
What is the InChIKey of (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is YILINDSGGSUJRL-WXUBYYRTSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-4-6(2)8-5-15-10(14)12(8)9(13)7(3)11/h4,7-8H,5H2,1-3H3/b6-4+/t7?,8-/m0/s1.
What are the key properties of (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one?
(4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 215.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-but-2-en-2-yl]-3-(2-fluoropropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 144602733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).