N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide

C16H14N2O2 — CID 4105918

IUPACN-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C16H14N2O2/c1-12-7-8-15(20-12)9-14(10-17)16(19)18-11-13-5-3-2-4-6-13/h2-9H,11H2,1H3,(H,18,19)
InChIKeyLKRNVHGNBHVQHS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.81
Rot. Bonds4

About N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide

N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 4105918) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID4105918
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)NCc2ccccc2)o1
InChIInChI=1S/C16H14N2O2/c1-12-7-8-15(20-12)9-14(10-17)16(19)18-11-13-5-3-2-4-6-13/h2-9H,11H2,1H3,(H,18,19)
InChIKeyLKRNVHGNBHVQHS-UHFFFAOYSA-N
XLogP2.81
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.81
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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Related Compounds

(Z)-N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6379218
(E)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921799
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(E)-N-benzyl-2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]prop-2-enamide
CID 1138734
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126023538
(E)-N-benzyl-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6529815
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 840901
2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
N-benzyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 4073143
2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 3770404
N-benzyl-2-cyano-3-(4-phenylphenyl)prop-2-enamide
CID 5014584

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide (CID 4105918) is N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=C(C#N)C(=O)NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is LKRNVHGNBHVQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-7-8-15(20-12)9-14(10-17)16(19)18-11-13-5-3-2-4-6-13/h2-9H,11H2,1H3,(H,18,19).
What are the key properties of N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide?
N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 4105918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).