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

C15H18N2O2 — CID 840729

IUPAC(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H18N2O2/c16-11-12(10-14-8-5-9-19-14)15(18)17-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7H2,(H,17,18)/b12-10+
InChIKeyZWMWLELXHIHUFG-ZRDIBKRKSA-N
MW258.32 g/mol
LogP3.03
Rot. Bonds3

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

(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 840729) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
PubChem CID840729
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H18N2O2/c16-11-12(10-14-8-5-9-19-14)15(18)17-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7H2,(H,17,18)/b12-10+
InChIKeyZWMWLELXHIHUFG-ZRDIBKRKSA-N
XLogP3.03
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.03
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

(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 1272261
(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
(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide
CID 92962211
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1124180
4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5437782
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 2688597
2-cyano-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4050122
methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate
CID 17373364
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide (CID 840729) is (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide is N#C/C(=C\c1ccco1)C(=O)NC1CCCCCC1.
What is the InChIKey of (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ZWMWLELXHIHUFG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-11-12(10-14-8-5-9-19-14)15(18)17-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7H2,(H,17,18)/b12-10+.
What are the key properties of (E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide?
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 3.03, 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-cycloheptyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 840729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).