3-(furan-2-yl)-N-hydroxyprop-2-enamide

C7H7NO3 — CID 71337811

IUPAC3-(furan-2-yl)-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccco1)NO
InChIInChI=1S/C7H7NO3/c9-7(8-10)4-3-6-2-1-5-11-6/h1-5,10H,(H,8,9)
InChIKeySZJKKCFFUIOMBZ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.80
Rot. Bonds2

About 3-(furan-2-yl)-N-hydroxyprop-2-enamide

3-(furan-2-yl)-N-hydroxyprop-2-enamide (PubChem CID 71337811) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-hydroxyprop-2-enamide
PubChem CID71337811
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-(furan-2-yl)-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccco1)NO
InChIInChI=1S/C7H7NO3/c9-7(8-10)4-3-6-2-1-5-11-6/h1-5,10H,(H,8,9)
InChIKeySZJKKCFFUIOMBZ-UHFFFAOYSA-N
XLogP0.80
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-hydroxyprop-2-enamide (CID 71337811) is 3-(furan-2-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-hydroxyprop-2-enamide is O=C(C=Cc1ccco1)NO.
What is the InChIKey of 3-(furan-2-yl)-N-hydroxyprop-2-enamide?
The InChIKey is SZJKKCFFUIOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(8-10)4-3-6-2-1-5-11-6/h1-5,10H,(H,8,9).
What are the key properties of 3-(furan-2-yl)-N-hydroxyprop-2-enamide?
3-(furan-2-yl)-N-hydroxyprop-2-enamide has a molecular weight of 153.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71337811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).