N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide

C11H15NO3 — CID 126814841

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C11H15NO3/c1-4-10(13)12-7-11(3,14)9-6-5-8(2)15-9/h4-6,14H,1,7H2,2-3H3,(H,12,13)
InChIKeyGXIBOACDRVKVGE-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.10
Rot. Bonds4

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide (PubChem CID 126814841) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
PubChem CID126814841
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C11H15NO3/c1-4-10(13)12-7-11(3,14)9-6-5-8(2)15-9/h4-6,14H,1,7H2,2-3H3,(H,12,13)
InChIKeyGXIBOACDRVKVGE-UHFFFAOYSA-N
XLogP1.10
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide (CID 126814841) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide is C=CC(=O)NCC(C)(O)c1ccc(C)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide?
The InChIKey is GXIBOACDRVKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-10(13)12-7-11(3,14)9-6-5-8(2)15-9/h4-6,14H,1,7H2,2-3H3,(H,12,13).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide has a molecular weight of 209.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 126814841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).