[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

C10H11NO4 — CID 4541807

IUPAC[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESCNC(=O)COC(=O)C=Cc1ccco1
InChIInChI=1S/C10H11NO4/c1-11-9(12)7-15-10(13)5-4-8-3-2-6-14-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyHQMIMNHTPVKWLF-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.58
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (PubChem CID 4541807) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
PubChem CID4541807
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESCNC(=O)COC(=O)C=Cc1ccco1
InChIInChI=1S/C10H11NO4/c1-11-9(12)7-15-10(13)5-4-8-3-2-6-14-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyHQMIMNHTPVKWLF-UHFFFAOYSA-N
XLogP0.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010200
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5151438
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3490448
[2-(butylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2429932
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5146395
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 16595378
[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
CID 4604786
[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852106
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506694
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3984156

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (CID 4541807) is [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is CNC(=O)COC(=O)C=Cc1ccco1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The InChIKey is HQMIMNHTPVKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-11-9(12)7-15-10(13)5-4-8-3-2-6-14-8/h2-6H,7H2,1H3,(H,11,12).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate has a molecular weight of 209.20 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 4541807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).