N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide

C10H13NO2 — CID 43697663

IUPACN-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C10H13NO2/c1-4-10(12)11-8(3)9-6-5-7(2)13-9/h4-6,8H,1H2,2-3H3,(H,11,12)
InChIKeyGKCFEQKXYLKTMP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide

N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide (PubChem CID 43697663) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
PubChem CID43697663
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C10H13NO2/c1-4-10(12)11-8(3)9-6-5-7(2)13-9/h4-6,8H,1H2,2-3H3,(H,11,12)
InChIKeyGKCFEQKXYLKTMP-UHFFFAOYSA-N
XLogP1.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.95
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 N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide (CID 43697663) is N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide is C=CC(=O)NC(C)c1ccc(C)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The InChIKey is GKCFEQKXYLKTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-10(12)11-8(3)9-6-5-7(2)13-9/h4-6,8H,1H2,2-3H3,(H,11,12).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide has a molecular weight of 179.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 43697663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).