(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide

C14H11NO4 — CID 2303048

IUPAC(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H11NO4/c16-14(6-4-11-2-1-7-17-11)15-10-3-5-12-13(8-10)19-9-18-12/h1-8H,9H2,(H,15,16)/b6-4+
InChIKeyLNNIKLNELUQODG-GQCTYLIASA-N
MW257.25 g/mol
LogP2.66
Rot. Bonds3

About (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2303048) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2303048
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H11NO4/c16-14(6-4-11-2-1-7-17-11)15-10-3-5-12-13(8-10)19-9-18-12/h1-8H,9H2,(H,15,16)/b6-4+
InChIKeyLNNIKLNELUQODG-GQCTYLIASA-N
XLogP2.66
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide (CID 2303048) is (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is LNNIKLNELUQODG-GQCTYLIASA-N. The full InChI is InChI=1S/C14H11NO4/c16-14(6-4-11-2-1-7-17-11)15-10-3-5-12-13(8-10)19-9-18-12/h1-8H,9H2,(H,15,16)/b6-4+.
What are the key properties of (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 257.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2303048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).