2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile

C16H15N3O — CID 100944801

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C)(C)C(C#N)=C(/C=C/c2ccco2)N1
InChIInChI=1S/C16H15N3O/c1-11-13(9-17)16(2,3)14(10-18)15(19-11)7-6-12-5-4-8-20-12/h4-8,19H,1-3H3/b7-6+
InChIKeyJERXPEKLSKMUSX-VOTSOKGWSA-N
MW265.32 g/mol
LogP3.50
Rot. Bonds2

About 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile

2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile (PubChem CID 100944801) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile
PubChem CID100944801
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(C)(C)C(C#N)=C(/C=C/c2ccco2)N1
InChIInChI=1S/C16H15N3O/c1-11-13(9-17)16(2,3)14(10-18)15(19-11)7-6-12-5-4-8-20-12/h4-8,19H,1-3H3/b7-6+
InChIKeyJERXPEKLSKMUSX-VOTSOKGWSA-N
XLogP3.50
TPSA72.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(E)-2-(furan-2-yl)ethenyl]-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile
CID 101135976
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile
CID 178068624
2-[2-(4-nitrophenyl)ethenyl]furan
CID 54150881
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-[(E)-2-phenylethenyl]furan
CID 642118
2-(2-ethoxyethenyl)furan
CID 173252893
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[(Z)-2-chloroethenyl]furan
CID 11389398
2-[(1E,3Z)-hexa-1,3-dienyl]furan
CID 102244674
cis-(1S,2S)-2-[(E)-2-(furan-2-yl)ethenyl]-2-methoxycyclopropane-1-carbonitrile
CID 101394824

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile (CID 100944801) is 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile is CC1=C(C#N)C(C)(C)C(C#N)=C(/C=C/c2ccco2)N1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is JERXPEKLSKMUSX-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-13(9-17)16(2,3)14(10-18)15(19-11)7-6-12-5-4-8-20-12/h4-8,19H,1-3H3/b7-6+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile?
2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 265.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 100944801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).