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

C8H9NO2 — CID 10888085

IUPACN-(furan-2-yl)but-3-enamide
SMILESC=CCC(=O)Nc1ccco1
InChIInChI=1S/C8H9NO2/c1-2-4-7(10)9-8-5-3-6-11-8/h2-3,5-6H,1,4H2,(H,9,10)
InChIKeyXMCAATLHFXBVBP-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.79
Rot. Bonds3

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

N-(furan-2-yl)but-3-enamide (PubChem CID 10888085) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is N-(furan-2-yl)but-3-enamide.

Molecular Properties

Compound NameN-(furan-2-yl)but-3-enamide
PubChem CID10888085
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC NameN-(furan-2-yl)but-3-enamide
SMILESC=CCC(=O)Nc1ccco1
InChIInChI=1S/C8H9NO2/c1-2-4-7(10)9-8-5-3-6-11-8/h2-3,5-6H,1,4H2,(H,9,10)
InChIKeyXMCAATLHFXBVBP-UHFFFAOYSA-N
XLogP1.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)but-3-enamide?
The IUPAC name of N-(furan-2-yl)but-3-enamide (CID 10888085) is N-(furan-2-yl)but-3-enamide.
What is the SMILES notation for N-(furan-2-yl)but-3-enamide?
The canonical SMILES for N-(furan-2-yl)but-3-enamide is C=CCC(=O)Nc1ccco1.
What is the InChIKey of N-(furan-2-yl)but-3-enamide?
The InChIKey is XMCAATLHFXBVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-4-7(10)9-8-5-3-6-11-8/h2-3,5-6H,1,4H2,(H,9,10).
What are the key properties of N-(furan-2-yl)but-3-enamide?
N-(furan-2-yl)but-3-enamide has a molecular weight of 151.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)but-3-enamide is sourced from PubChem (CID 10888085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).