(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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Related Compounds

(E)-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 170877481
(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 170877458
[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
CID 153317965
N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide
CID 169466848
3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 165351483
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(1E,4E)-1,5-bis[5-(hydroxymethyl)furan-2-yl]penta-1,4-dien-3-one;1,5-bis[5-(hydroxymethyl)furan-2-yl]pentan-3-one;pentadecane;pentadecane-2,5,8,11,14-pentone
CID 161098793
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530
[5-(hydroxyiminomethyl)furan-2-yl]methanol
CID 71437375
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
(E)-1-(2,2-dimethylchromen-6-yl)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-en-1-one
CID 71213140

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).