(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile

C15H12N2O2 — CID 94189734

IUPAC(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile
SMILESCc1ccc(/C=C/C(=O)[C@@H](C#N)c2ccccn2)o1
InChIInChI=1S/C15H12N2O2/c1-11-5-6-12(19-11)7-8-15(18)13(10-16)14-4-2-3-9-17-14/h2-9,13H,1H3/b8-7+/t13-/m0/s1
InChIKeyCJECDDUKNAPVJG-GWJCSSMESA-N
MW252.27 g/mol
LogP2.87
Rot. Bonds4

About (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile

(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile (PubChem CID 94189734) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile.

Molecular Properties

Compound Name(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile
PubChem CID94189734
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile
SMILESCc1ccc(/C=C/C(=O)[C@@H](C#N)c2ccccn2)o1
InChIInChI=1S/C15H12N2O2/c1-11-5-6-12(19-11)7-8-15(18)13(10-16)14-4-2-3-9-17-14/h2-9,13H,1H3/b8-7+/t13-/m0/s1
InChIKeyCJECDDUKNAPVJG-GWJCSSMESA-N
XLogP2.87
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(1,3-benzothiazol-2-yl)-5-(5-methylfuran-2-yl)-3-oxopent-4-enenitrile
CID 47049702
4-[(E)-4-cyano-3-oxo-4-pyridin-2-ylbut-1-enyl]benzonitrile
CID 51086334
4-[(E,4R)-4-cyano-3-oxo-4-pyridin-2-ylbut-1-enyl]-N-methylbenzamide
CID 94217607
3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 47179848
(Z,2S)-5-[4-(difluoromethoxy)phenyl]-3-oxo-2-pyridin-2-ylpent-4-enenitrile
CID 94217559
(E)-N-benzyl-2-cyano-5-(5-methylfuran-2-yl)-3-oxopent-4-enamide
CID 47052883
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141
(Z,2S)-2-cyano-5-(5-methylfuran-2-yl)-N-(3-methylphenyl)-3-oxopent-4-enamide
CID 98548768
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 102603870
(2R)-3-(5-nitrofuran-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94101217

Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile?
The IUPAC name of (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile (CID 94189734) is (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile.
What is the SMILES notation for (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile?
The canonical SMILES for (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile is Cc1ccc(/C=C/C(=O)[C@@H](C#N)c2ccccn2)o1.
What is the InChIKey of (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile?
The InChIKey is CJECDDUKNAPVJG-GWJCSSMESA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11-5-6-12(19-11)7-8-15(18)13(10-16)14-4-2-3-9-17-14/h2-9,13H,1H3/b8-7+/t13-/m0/s1.
What are the key properties of (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile?
(E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile has a molecular weight of 252.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-(5-methylfuran-2-yl)-3-oxo-2-pyridin-2-ylpent-4-enenitrile is sourced from PubChem (CID 94189734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).