(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide

C14H15IN2O2 — CID 1272261

IUPAC(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(I)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H15IN2O2/c15-13-7-6-12(19-13)8-10(9-16)14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,17,18)/b10-8+
InChIKeyKEFTZOJETQVYAG-CSKARUKUSA-N
MW370.19 g/mol
LogP3.24
Rot. Bonds3

About (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide (PubChem CID 1272261) has the molecular formula C14H15IN2O2 and a molecular weight of 370.19 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
PubChem CID1272261
Molecular FormulaC14H15IN2O2
Molecular Weight370.19 g/mol
Exact Mass370.02
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(I)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H15IN2O2/c15-13-7-6-12(19-13)8-10(9-16)14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,17,18)/b10-8+
InChIKeyKEFTZOJETQVYAG-CSKARUKUSA-N
XLogP3.24
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-cyclohexyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247292
(Z)-2-cyano-N-cyclopentyl-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 124925368
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1124180
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
(E)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 6269775
(E)-2-cyano-N-cyclopentyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 126197604
(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide
CID 92962211
(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247343
(E)-2-cyano-3-(5-iodofuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 1117826
(E)-3-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 126005706
(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1491702
methyl 4-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoate
CID 126120765

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide (CID 1272261) is (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide is N#C/C(=C\c1ccc(I)o1)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide?
The InChIKey is KEFTZOJETQVYAG-CSKARUKUSA-N. The full InChI is InChI=1S/C14H15IN2O2/c15-13-7-6-12(19-13)8-10(9-16)14(18)17-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H,17,18)/b10-8+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide has a molecular weight of 370.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 1272261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).