(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide

C16H15N3O2 — CID 877036

IUPAC(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
SMILESCN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1
InChIInChI=1S/C16H15N3O2/c1-19(2)15-9-8-14(21-15)10-12(11-17)16(20)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)/b12-10+
InChIKeyOYZZWAOHMXJNLS-ZRDIBKRKSA-N
MW281.31 g/mol
LogP2.89
Rot. Bonds4

About (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide

(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide (PubChem CID 877036) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
PubChem CID877036
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
SMILESCN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1
InChIInChI=1S/C16H15N3O2/c1-19(2)15-9-8-14(21-15)10-12(11-17)16(20)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)/b12-10+
InChIKeyOYZZWAOHMXJNLS-ZRDIBKRKSA-N
XLogP2.89
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.89
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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Related Compounds

(E)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921799
3-[4-bromo-5-(dimethylamino)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 71437858
2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(3-methylphenyl)prop-2-enamide
CID 71437249
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
(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 18863272
(E)-N-(3-bromophenyl)-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 1365972
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 31979982
(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 767818
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 7299730
(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 6286022

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide (CID 877036) is (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide is CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1.
What is the InChIKey of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide?
The InChIKey is OYZZWAOHMXJNLS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(2)15-9-8-14(21-15)10-12(11-17)16(20)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)/b12-10+.
What are the key properties of (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide?
(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide has a molecular weight of 281.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 877036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).