N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide

C9H13NO2 — CID 70430097

IUPACN-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC1C=CCO1
InChIInChI=1S/C9H13NO2/c1-7(2)9(11)10-6-8-4-3-5-12-8/h3-4,8H,1,5-6H2,2H3,(H,10,11)
InChIKeyAFTYCQJBDRLICF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.63
Rot. Bonds3

About N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide

N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide (PubChem CID 70430097) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide
PubChem CID70430097
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC1C=CCO1
InChIInChI=1S/C9H13NO2/c1-7(2)9(11)10-6-8-4-3-5-12-8/h3-4,8H,1,5-6H2,2H3,(H,10,11)
InChIKeyAFTYCQJBDRLICF-UHFFFAOYSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide (CID 70430097) is N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC1C=CCO1.
What is the InChIKey of N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide?
The InChIKey is AFTYCQJBDRLICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(2)9(11)10-6-8-4-3-5-12-8/h3-4,8H,1,5-6H2,2H3,(H,10,11).
What are the key properties of N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide?
N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide has a molecular weight of 167.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydrofuran-2-ylmethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 70430097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).