ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate

C14H19NO3 — CID 80549181

IUPACethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate
SMILESCCOC(=O)/C=C/CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H19NO3/c1-2-17-14(16)6-3-9-15(12-7-8-12)11-13-5-4-10-18-13/h3-6,10,12H,2,7-9,11H2,1H3/b6-3+
InChIKeyIEXIGABPLGGRPB-ZZXKWVIFSA-N
MW249.31 g/mol
LogP2.36
Rot. Bonds7

About ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate

ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate (PubChem CID 80549181) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate
PubChem CID80549181
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate
SMILESCCOC(=O)/C=C/CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H19NO3/c1-2-17-14(16)6-3-9-15(12-7-8-12)11-13-5-4-10-18-13/h3-6,10,12H,2,7-9,11H2,1H3/b6-3+
InChIKeyIEXIGABPLGGRPB-ZZXKWVIFSA-N
XLogP2.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.36
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

4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
ethyl (E)-5-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hex-2-enoate
CID 101271254
ethyl (E)-4-[cyclopropyl(2-methoxyethyl)amino]but-2-enoate
CID 80548905
furan-2-ylmethyl pent-2-enoate
CID 140682231
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
ethyl (E)-4-[benzoyl(furan-2-ylmethyl)amino]-5-methylhex-2-enoate
CID 100945168
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62030109
ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 24568142

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate?
The IUPAC name of ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate (CID 80549181) is ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate.
What is the SMILES notation for ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate?
The canonical SMILES for ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate is CCOC(=O)/C=C/CN(Cc1ccco1)C1CC1.
What is the InChIKey of ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate?
The InChIKey is IEXIGABPLGGRPB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-17-14(16)6-3-9-15(12-7-8-12)11-13-5-4-10-18-13/h3-6,10,12H,2,7-9,11H2,1H3/b6-3+.
What are the key properties of ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate?
ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate has a molecular weight of 249.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate is sourced from PubChem (CID 80549181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).