[3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate

C9H11NO4 — CID 139935549

IUPAC[3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate
SMILESC=CC(=O)OC=CC(=O)N1CCOC1
InChIInChI=1S/C9H11NO4/c1-2-9(12)14-5-3-8(11)10-4-6-13-7-10/h2-3,5H,1,4,6-7H2
InChIKeyJWZOJFVCTFZCQQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.05
Rot. Bonds3

About [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate

[3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate (PubChem CID 139935549) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate
PubChem CID139935549
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name[3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate
SMILESC=CC(=O)OC=CC(=O)N1CCOC1
InChIInChI=1S/C9H11NO4/c1-2-9(12)14-5-3-8(11)10-4-6-13-7-10/h2-3,5H,1,4,6-7H2
InChIKeyJWZOJFVCTFZCQQ-UHFFFAOYSA-N
XLogP0.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(E)-3-prop-2-enoyloxyprop-2-enoic acid
CID 14647351
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
2-fluoroprop-2-enyl 2-(1,3-oxazolidin-3-yl)-2-oxoacetate
CID 139567606
(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
CID 151039333
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
CID 144930125
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
CID 175273423
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
CID 129407797
N-(3-morpholin-4-yl-3-oxoprop-1-enyl)but-3-enamide
CID 139945979
3-oxoprop-1-enyl prop-2-enoate
CID 54470635

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate?
The IUPAC name of [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate (CID 139935549) is [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate.
What is the SMILES notation for [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate?
The canonical SMILES for [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate is C=CC(=O)OC=CC(=O)N1CCOC1.
What is the InChIKey of [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate?
The InChIKey is JWZOJFVCTFZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-9(12)14-5-3-8(11)10-4-6-13-7-10/h2-3,5H,1,4,6-7H2.
What are the key properties of [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate?
[3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate has a molecular weight of 197.19 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl] prop-2-enoate is sourced from PubChem (CID 139935549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).