3-(furan-2-yl)prop-2-enamide

C7H7NO2 — CID 12169

IUPAC3-(furan-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccco1
InChIInChI=1S/C7H7NO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)
InChIKeyXSVYCXHKWNFZLL-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.78
Rot. Bonds2

About 3-(furan-2-yl)prop-2-enamide

3-(furan-2-yl)prop-2-enamide (PubChem CID 12169) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)prop-2-enamide
PubChem CID12169
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3-(furan-2-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccco1
InChIInChI=1S/C7H7NO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)
InChIKeyXSVYCXHKWNFZLL-UHFFFAOYSA-N
XLogP0.78
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.78
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 3-(furan-2-yl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)prop-2-enamide (CID 12169) is 3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)prop-2-enamide is NC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)prop-2-enamide?
The InChIKey is XSVYCXHKWNFZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9).
What are the key properties of 3-(furan-2-yl)prop-2-enamide?
3-(furan-2-yl)prop-2-enamide has a molecular weight of 137.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 12169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).