3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one

C10H9NO4 — CID 139256760

IUPAC3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccco1)N1CCOC1=O
InChIInChI=1S/C10H9NO4/c12-9(11-5-7-15-10(11)13)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2/b4-3+
InChIKeyFBOQGYOHCIDOEW-ONEGZZNKSA-N
MW207.19 g/mol
LogP1.27
Rot. Bonds2

About 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 139256760) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID139256760
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccco1)N1CCOC1=O
InChIInChI=1S/C10H9NO4/c12-9(11-5-7-15-10(11)13)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2/b4-3+
InChIKeyFBOQGYOHCIDOEW-ONEGZZNKSA-N
XLogP1.27
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
CID 11310590
3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 142842409
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 11242185
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
3-[3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 72765876
3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 76987242
4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one
CID 75354993
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 76857507
(E)-1-(3-aminopiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 82234987
(1S,5R)-2-[3-(furan-2-yl)prop-2-enoyl]-2,6-diazabicyclo[3.2.0]heptan-7-one
CID 70017633
3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
CID 76952514

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 139256760) is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccco1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is FBOQGYOHCIDOEW-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H9NO4/c12-9(11-5-7-15-10(11)13)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2/b4-3+.
What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 207.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139256760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).