(E)-3-(furan-3-yl)-N-methylprop-2-enamide

C8H9NO2 — CID 89044048

IUPAC(E)-3-(furan-3-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccoc1
InChIInChI=1S/C8H9NO2/c1-9-8(10)3-2-7-4-5-11-6-7/h2-6H,1H3,(H,9,10)/b3-2+
InChIKeyUPUAQBBISHUKOS-NSCUHMNNSA-N
MW151.16 g/mol
LogP1.04
Rot. Bonds2

About (E)-3-(furan-3-yl)-N-methylprop-2-enamide

(E)-3-(furan-3-yl)-N-methylprop-2-enamide (PubChem CID 89044048) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-N-methylprop-2-enamide
PubChem CID89044048
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(E)-3-(furan-3-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccoc1
InChIInChI=1S/C8H9NO2/c1-9-8(10)3-2-7-4-5-11-6-7/h2-6H,1H3,(H,9,10)/b3-2+
InChIKeyUPUAQBBISHUKOS-NSCUHMNNSA-N
XLogP1.04
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(furan-3-yl)-N-methylprop-2-enamide (CID 89044048) is (E)-3-(furan-3-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-3-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-3-yl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccoc1.
What is the InChIKey of (E)-3-(furan-3-yl)-N-methylprop-2-enamide?
The InChIKey is UPUAQBBISHUKOS-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H9NO2/c1-9-8(10)3-2-7-4-5-11-6-7/h2-6H,1H3,(H,9,10)/b3-2+.
What are the key properties of (E)-3-(furan-3-yl)-N-methylprop-2-enamide?
(E)-3-(furan-3-yl)-N-methylprop-2-enamide has a molecular weight of 151.16 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 89044048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).