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

C8H9NO3 — CID 131239465

IUPAC(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCO
InChIInChI=1S/C8H9NO3/c10-6-9-8(11)4-3-7-2-1-5-12-7/h1-5,10H,6H2,(H,9,11)/b4-3+
InChIKeyYSGBUNROIKLBGU-ONEGZZNKSA-N
MW167.16 g/mol
LogP0.36
Rot. Bonds3

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

(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide (PubChem CID 131239465) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
PubChem CID131239465
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCO
InChIInChI=1S/C8H9NO3/c10-6-9-8(11)4-3-7-2-1-5-12-7/h1-5,10H,6H2,(H,9,11)/b4-3+
InChIKeyYSGBUNROIKLBGU-ONEGZZNKSA-N
XLogP0.36
TPSA62.47 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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide
CID 133126705
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
CID 103843523
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide (CID 131239465) is (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCO.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide?
The InChIKey is YSGBUNROIKLBGU-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9NO3/c10-6-9-8(11)4-3-7-2-1-5-12-7/h1-5,10H,6H2,(H,9,11)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide has a molecular weight of 167.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide is sourced from PubChem (CID 131239465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).