[2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate

C13H13NO4 — CID 178173989

IUPAC[2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccoc1/C=N/C(=O)C(=C)C
InChIInChI=1S/C13H13NO4/c1-4-12(15)18-8-10-5-6-17-11(10)7-14-13(16)9(2)3/h4-7H,1-2,8H2,3H3/b14-7+
InChIKeyDVZDFIOWWIZHBY-VGOFMYFVSA-N
MW247.25 g/mol
LogP2.03
Rot. Bonds5

About [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate

[2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate (PubChem CID 178173989) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate
PubChem CID178173989
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name[2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccoc1/C=N/C(=O)C(=C)C
InChIInChI=1S/C13H13NO4/c1-4-12(15)18-8-10-5-6-17-11(10)7-14-13(16)9(2)3/h4-7H,1-2,8H2,3H3/b14-7+
InChIKeyDVZDFIOWWIZHBY-VGOFMYFVSA-N
XLogP2.03
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-ethenylfuran-3-yl)methyl acetate
CID 174677957
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
[2-(aminomethyl)phenyl]methyl prop-2-enoate
CID 174585354
(4-ethyl-2-hydroxyphenyl)methyl prop-2-enoate
CID 164806330
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006
CID 174996513
CID 174996513
CID 169031580
CID 169031580
[4-(acetyloxymethyl)furan-2-yl]methyl prop-2-enoate
CID 167287883
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
CID 174980361
furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 67127109

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate (CID 178173989) is [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate is C=CC(=O)OCc1ccoc1/C=N/C(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate?
The InChIKey is DVZDFIOWWIZHBY-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H13NO4/c1-4-12(15)18-8-10-5-6-17-11(10)7-14-13(16)9(2)3/h4-7H,1-2,8H2,3H3/b14-7+.
What are the key properties of [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate?
[2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate has a molecular weight of 247.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyliminomethyl)furan-3-yl]methyl prop-2-enoate is sourced from PubChem (CID 178173989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).