(E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide

C15H12N2O2 — CID 738836

IUPAC(E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C(C#N)=C/c2ccco2)c1
InChIInChI=1S/C15H12N2O2/c1-11-4-2-5-13(8-11)17-15(18)12(10-16)9-14-6-3-7-19-14/h2-9H,1H3,(H,17,18)/b12-9+
InChIKeyYKTSGSUXMSMEHN-FMIVXFBMSA-N
MW252.27 g/mol
LogP3.13
Rot. Bonds3

About (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide

(E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 738836) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID738836
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C(C#N)=C/c2ccco2)c1
InChIInChI=1S/C15H12N2O2/c1-11-4-2-5-13(8-11)17-15(18)12(10-16)9-14-6-3-7-19-14/h2-9H,1H3,(H,17,18)/b12-9+
InChIKeyYKTSGSUXMSMEHN-FMIVXFBMSA-N
XLogP3.13
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide (CID 738836) is (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide is Cc1cccc(NC(=O)/C(C#N)=C/c2ccco2)c1.
What is the InChIKey of (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is YKTSGSUXMSMEHN-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11-4-2-5-13(8-11)17-15(18)12(10-16)9-14-6-3-7-19-14/h2-9H,1H3,(H,17,18)/b12-9+.
What are the key properties of (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide?
(E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 252.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(furan-2-yl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 738836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).