2-cyano-N-[1-(furan-3-yl)ethyl]acetamide

C9H10N2O2 — CID 130683664

IUPAC2-cyano-N-[1-(furan-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CC#N)c1ccoc1
InChIInChI=1S/C9H10N2O2/c1-7(8-3-5-13-6-8)11-9(12)2-4-10/h3,5-7H,2H2,1H3,(H,11,12)
InChIKeyFXHRICZYOSOIDJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.37
Rot. Bonds3

About 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide

2-cyano-N-[1-(furan-3-yl)ethyl]acetamide (PubChem CID 130683664) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(furan-3-yl)ethyl]acetamide
PubChem CID130683664
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-cyano-N-[1-(furan-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CC#N)c1ccoc1
InChIInChI=1S/C9H10N2O2/c1-7(8-3-5-13-6-8)11-9(12)2-4-10/h3,5-7H,2H2,1H3,(H,11,12)
InChIKeyFXHRICZYOSOIDJ-UHFFFAOYSA-N
XLogP1.37
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 831599
2-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 14883609
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide
CID 166410284
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8662901
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide (CID 130683664) is 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide is CC(NC(=O)CC#N)c1ccoc1.
What is the InChIKey of 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide?
The InChIKey is FXHRICZYOSOIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(8-3-5-13-6-8)11-9(12)2-4-10/h3,5-7H,2H2,1H3,(H,11,12).
What are the key properties of 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide?
2-cyano-N-[1-(furan-3-yl)ethyl]acetamide has a molecular weight of 178.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(furan-3-yl)ethyl]acetamide is sourced from PubChem (CID 130683664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).