(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

C15H16N2O2 — CID 9247343

IUPAC(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)NC2CC2)o1
InChIInChI=1S/C15H16N2O2/c1-9-6-13(9)14-5-4-12(19-14)7-10(8-16)15(18)17-11-2-3-11/h4-5,7,9,11,13H,2-3,6H2,1H3,(H,17,18)/b10-7+/t9-,13-/m1/s1
InChIKeyNVPMJQQSDLNLSS-GCIINGENSA-N
MW256.30 g/mol
LogP2.59
Rot. Bonds4

About (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide

(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (PubChem CID 9247343) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
PubChem CID9247343
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)NC2CC2)o1
InChIInChI=1S/C15H16N2O2/c1-9-6-13(9)14-5-4-12(19-14)7-10(8-16)15(18)17-11-2-3-11/h4-5,7,9,11,13H,2-3,6H2,1H3,(H,17,18)/b10-7+/t9-,13-/m1/s1
InChIKeyNVPMJQQSDLNLSS-GCIINGENSA-N
XLogP2.59
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.59
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'}

Analyze (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-2-cyano-N-cyclohexyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247292
(E)-2-cyano-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247241
(E)-2-cyano-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 9247310
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247297
(E)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 9247455
2-cyano-N-(2-fluorophenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 3798411
(E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(1-phenylethyl)prop-2-enamide
CID 166404368
(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 1272261
4-[[(E)-2-cyano-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 9247639
2-[[(E)-2-cyano-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]benzoate
CID 7403746
(E)-2-cyano-N-cyclopropyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 56950928
(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247729

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide (CID 9247343) is (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)NC2CC2)o1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
The InChIKey is NVPMJQQSDLNLSS-GCIINGENSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-6-13(9)14-5-4-12(19-14)7-10(8-16)15(18)17-11-2-3-11/h4-5,7,9,11,13H,2-3,6H2,1H3,(H,17,18)/b10-7+/t9-,13-/m1/s1.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide has a molecular weight of 256.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclopropyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 9247343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).