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

C15H12N2O2 — CID 872795

IUPAC(E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C15H12N2O2/c16-10-13(9-14-7-4-8-19-14)15(18)17-11-12-5-2-1-3-6-12/h1-9H,11H2,(H,17,18)/b13-9+
InChIKeyGSHOWOVDVQOHCN-UKTHLTGXSA-N
MW252.27 g/mol
LogP2.50
Rot. Bonds4

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

(E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide (PubChem CID 872795) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide
PubChem CID872795
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C15H12N2O2/c16-10-13(9-14-7-4-8-19-14)15(18)17-11-12-5-2-1-3-6-12/h1-9H,11H2,(H,17,18)/b13-9+
InChIKeyGSHOWOVDVQOHCN-UKTHLTGXSA-N
XLogP2.50
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.50
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)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide (CID 872795) is (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide is N#C/C(=C\c1ccco1)C(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide?
The InChIKey is GSHOWOVDVQOHCN-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-10-13(9-14-7-4-8-19-14)15(18)17-11-12-5-2-1-3-6-12/h1-9H,11H2,(H,17,18)/b13-9+.
What are the key properties of (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide?
(E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide has a molecular weight of 252.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-2-cyano-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 872795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).