3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide

C12H17NO2 — CID 5207311

IUPAC3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1cc(C=CC(=O)NC(C)C)oc1C
InChIInChI=1S/C12H17NO2/c1-8(2)13-12(14)6-5-11-7-9(3)10(4)15-11/h5-8H,1-4H3,(H,13,14)
InChIKeyPVNKANQISIFKJG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.43
Rot. Bonds3

About 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide

3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 5207311) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide
PubChem CID5207311
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1cc(C=CC(=O)NC(C)C)oc1C
InChIInChI=1S/C12H17NO2/c1-8(2)13-12(14)6-5-11-7-9(3)10(4)15-11/h5-8H,1-4H3,(H,13,14)
InChIKeyPVNKANQISIFKJG-UHFFFAOYSA-N
XLogP2.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.43
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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Related Compounds

3-(4,5-dimethylfuran-2-yl)prop-2-enoic acid
CID 53401722
3-(5-iodofuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 78773568
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane
CID 158752284
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
CID 18283459
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 47140362
(E)-3-(1-benzofuran-2-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 60555532
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide
CID 108805012

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide (CID 5207311) is 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide is Cc1cc(C=CC(=O)NC(C)C)oc1C.
What is the InChIKey of 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is PVNKANQISIFKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13-12(14)6-5-11-7-9(3)10(4)15-11/h5-8H,1-4H3,(H,13,14).
What are the key properties of 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 207.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylfuran-2-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 5207311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).