(Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide

C17H17N3O2 — CID 921800

IUPAC(Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H17N3O2/c1-20(2)16-9-8-15(22-16)10-14(11-18)17(21)19-12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3,(H,19,21)/b14-10-
InChIKeyKSEMQYWKFQVZIB-UVTDQMKNSA-N
MW295.34 g/mol
LogP2.57
Rot. Bonds5

About (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide

(Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide (PubChem CID 921800) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
PubChem CID921800
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H17N3O2/c1-20(2)16-9-8-15(22-16)10-14(11-18)17(21)19-12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3,(H,19,21)/b14-10-
InChIKeyKSEMQYWKFQVZIB-UVTDQMKNSA-N
XLogP2.57
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'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 (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide (CID 921800) is (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide is CN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide?
The InChIKey is KSEMQYWKFQVZIB-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)16-9-8-15(22-16)10-14(11-18)17(21)19-12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3,(H,19,21)/b14-10-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide has a molecular weight of 295.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 921800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).