(E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide

C12H11NO3 — CID 947481

IUPAC(E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccco1
InChIInChI=1S/C12H11NO3/c14-12(6-5-10-3-1-7-15-10)13-9-11-4-2-8-16-11/h1-8H,9H2,(H,13,14)/b6-5+
InChIKeyZTAOSUGWSJDISW-AATRIKPKSA-N
MW217.22 g/mol
LogP2.20
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 947481) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID947481
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccco1
InChIInChI=1S/C12H11NO3/c14-12(6-5-10-3-1-7-15-10)13-9-11-4-2-8-16-11/h1-8H,9H2,(H,13,14)/b6-5+
InChIKeyZTAOSUGWSJDISW-AATRIKPKSA-N
XLogP2.20
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 947481) is (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCc1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is ZTAOSUGWSJDISW-AATRIKPKSA-N. The full InChI is InChI=1S/C12H11NO3/c14-12(6-5-10-3-1-7-15-10)13-9-11-4-2-8-16-11/h1-8H,9H2,(H,13,14)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 217.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 947481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).