(4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one

C7H9NO3 — CID 90441475

IUPAC(4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC[C@H]1C
InChIInChI=1S/C7H9NO3/c1-3-6(9)8-5(2)4-11-7(8)10/h3,5H,1,4H2,2H3/t5-/m1/s1
InChIKeyMXIFJWLGQOKATF-RXMQYKEDSA-N
MW155.15 g/mol
LogP0.54
Rot. Bonds1

About (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one

(4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 90441475) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
PubChem CID90441475
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC[C@H]1C
InChIInChI=1S/C7H9NO3/c1-3-6(9)8-5(2)4-11-7(8)10/h3,5H,1,4H2,2H3/t5-/m1/s1
InChIKeyMXIFJWLGQOKATF-RXMQYKEDSA-N
XLogP0.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Acryloyl-2-oxazolidinone
CID 10351788
3-[(E)-2-Butenoyl]-1,3-oxazolidin-2-one
CID 5365845
(4S)-3-[(E)-but-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 5702601
3-(2-Butenoyl)-1,3-oxazolidin-2-one
CID 549611
(4S)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10954182
2-Oxazolidinone, 4,4-dimethyl-3-(1-oxo-2-propenyl)-
CID 11206008
(4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 11412761
3-(4-Fluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 141333748
3-(1-Oxobut-2-enyl)-4-propan-2-yl-2-oxazolidinone
CID 13296267
4-Propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 13296274
(4S)-4-methyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10464716
(4S)-3-Acryloyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 71366501

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one (CID 90441475) is (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one is C=CC(=O)N1C(=O)OC[C@H]1C.
What is the InChIKey of (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is MXIFJWLGQOKATF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-6(9)8-5(2)4-11-7(8)10/h3,5H,1,4H2,2H3/t5-/m1/s1.
What are the key properties of (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
(4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 155.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90441475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).