(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide

C8H9NO3 — CID 55266499

IUPAC(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(CO)o1
InChIInChI=1S/C8H9NO3/c9-8(11)4-3-6-1-2-7(5-10)12-6/h1-4,10H,5H2,(H2,9,11)/b4-3+
InChIKeyDWYHWSXZHCHXTC-ONEGZZNKSA-N
MW167.16 g/mol
LogP0.27
Rot. Bonds3

About (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide

(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide (PubChem CID 55266499) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
PubChem CID55266499
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(CO)o1
InChIInChI=1S/C8H9NO3/c9-8(11)4-3-6-1-2-7(5-10)12-6/h1-4,10H,5H2,(H2,9,11)/b4-3+
InChIKeyDWYHWSXZHCHXTC-ONEGZZNKSA-N
XLogP0.27
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
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-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide (CID 55266499) is (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide is NC(=O)/C=C/c1ccc(CO)o1.
What is the InChIKey of (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide?
The InChIKey is DWYHWSXZHCHXTC-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9NO3/c9-8(11)4-3-6-1-2-7(5-10)12-6/h1-4,10H,5H2,(H2,9,11)/b4-3+.
What are the key properties of (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide?
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide has a molecular weight of 167.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 55266499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).