2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide

C11H12N2O3 — CID 60501413

IUPAC2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C#N)C(=O)c1ccoc1
InChIInChI=1S/C11H12N2O3/c1-2-4-13-11(15)9(6-12)10(14)8-3-5-16-7-8/h3,5,7,9H,2,4H2,1H3,(H,13,15)
InChIKeyHFFZKLQAGVTSAB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.13
Rot. Bonds5

About 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide

2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide (PubChem CID 60501413) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide
PubChem CID60501413
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C#N)C(=O)c1ccoc1
InChIInChI=1S/C11H12N2O3/c1-2-4-13-11(15)9(6-12)10(14)8-3-5-16-7-8/h3,5,7,9H,2,4H2,1H3,(H,13,15)
InChIKeyHFFZKLQAGVTSAB-UHFFFAOYSA-N
XLogP1.13
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
CID 60501121
N-[2-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 34751154
2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334740
N-pentylfuran-3-carboxamide
CID 91139562
2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide
CID 76888162
3-(2-acetamido-1,3-thiazol-4-yl)-2-cyano-3-oxo-N-propylpropanamide
CID 60501119
N-decylfuran-3-carboxamide
CID 117059205
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 4257361
2-(2-bromophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 62828421
2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156952
(2S)-N-benzyl-2-cyano-3-(4-ethylphenyl)-3-oxopropanamide
CID 96570961
N-[(2R,4R)-4-cyano-5-(2,3-dimethylphenyl)-3,5-dioxopentan-2-yl]furan-3-carboxamide
CID 98139402

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide?
The IUPAC name of 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide (CID 60501413) is 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide.
What is the SMILES notation for 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide?
The canonical SMILES for 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide is CCCNC(=O)C(C#N)C(=O)c1ccoc1.
What is the InChIKey of 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide?
The InChIKey is HFFZKLQAGVTSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-4-13-11(15)9(6-12)10(14)8-3-5-16-7-8/h3,5,7,9H,2,4H2,1H3,(H,13,15).
What are the key properties of 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide?
2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide has a molecular weight of 220.23 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide is sourced from PubChem (CID 60501413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).