(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide

C13H16N2O2 — CID 114694014

IUPAC(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1=CCNCC1
InChIInChI=1S/C13H16N2O2/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-5,9,14H,6-8,10H2,(H,15,16)/b4-3+
InChIKeyLRIYEVKHWULRAJ-ONEGZZNKSA-N
MW232.28 g/mol
LogP1.33
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide (PubChem CID 114694014) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
PubChem CID114694014
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1=CCNCC1
InChIInChI=1S/C13H16N2O2/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-5,9,14H,6-8,10H2,(H,15,16)/b4-3+
InChIKeyLRIYEVKHWULRAJ-ONEGZZNKSA-N
XLogP1.33
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(E)-3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60982798
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 20610026
(E)-3-(furan-2-yl)-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 60619034
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide (CID 114694014) is (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCC1=CCNCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is LRIYEVKHWULRAJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-5,9,14H,6-8,10H2,(H,15,16)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 232.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 114694014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).