3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one

C12H11NO3 — CID 677094

IUPAC3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H11NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyMZFIOCKXBSMAKY-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.68
Rot. Bonds2

About 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one

3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one (PubChem CID 677094) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
PubChem CID677094
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=Cc1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H11NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyMZFIOCKXBSMAKY-UHFFFAOYSA-N
XLogP1.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.68
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

4-(1-Oxo-3-phenylallyl)morpholine
CID 691098
(E)-3-Phenyl-1-(pyrrolidino)-2-propen-1-one
CID 765514
4-(3-(4-Fluorophenyl)-2-propenoyl)morpholine
CID 923524
Cinnamamide, N-(2-hydroxyethyl)-N-methyl-
CID 6303480
(E)-1-Cinnamoylpyrrolidine
CID 2056198
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
N,N-Bis(2-hydroxyethyl)cinnamamide
CID 5273477
Locostatin
CID 5702600
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-phenylprop-2-enoate
CID 2360506
Ethyl 2-[(5Z)-5-(4-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2280142
Aglamide D
CID 16099511
Cinnamic acid pyrrolidid
CID 583163

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one (CID 677094) is 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one is O=C(C=Cc1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is MZFIOCKXBSMAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11(13-8-9-16-12(13)15)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one?
3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 677094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).