2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide

C17H14N2O2 — CID 4710196

IUPAC2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2/c1-2-10-19-17(20)14(12-18)11-15-8-9-16(21-15)13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,19,20)
InChIKeyJBJSXEKXQKGUAO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.16
Rot. Bonds5

About 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide

2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide (PubChem CID 4710196) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
PubChem CID4710196
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O2/c1-2-10-19-17(20)14(12-18)11-15-8-9-16(21-15)13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,19,20)
InChIKeyJBJSXEKXQKGUAO-UHFFFAOYSA-N
XLogP3.16
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-prop-2-enylprop-2-enamide
CID 2713727
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 787027
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(E)-2-cyano-N-(2-ethylphenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863339
2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
CID 5191792
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 796826
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 6067734
(Z)-2-cyano-N-cyclopentyl-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 124925368
(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126023538
(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyano-N-prop-2-enylprop-2-enamide
CID 6531373

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide (CID 4710196) is 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide?
The InChIKey is JBJSXEKXQKGUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-10-19-17(20)14(12-18)11-15-8-9-16(21-15)13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,19,20).
What are the key properties of 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide?
2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 4710196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).