6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile

C19H19N3O — CID 142904090

IUPAC6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile
SMILESC/C=C(\C)c1ccc(-c2ccc(C#N)cn2)o1.C/C=C/CC#N
InChIInChI=1S/C14H12N2O.C5H7N/c1-3-10(2)13-6-7-14(17-13)12-5-4-11(8-15)9-16-12;1-2-3-4-5-6/h3-7,9H,1-2H3;2-3H,4H2,1H3/b10-3+;3-2+
InChIKeyKHLJPGFXTSMUCO-ZWGUTNLNSA-N
MW305.38 g/mol
LogP5.11
Rot. Bonds3

About 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile

6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile (PubChem CID 142904090) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile.

Molecular Properties

Compound Name6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile
PubChem CID142904090
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile
SMILESC/C=C(\C)c1ccc(-c2ccc(C#N)cn2)o1.C/C=C/CC#N
InChIInChI=1S/C14H12N2O.C5H7N/c1-3-10(2)13-6-7-14(17-13)12-5-4-11(8-15)9-16-12;1-2-3-4-5-6/h3-7,9H,1-2H3;2-3H,4H2,1H3/b10-3+;3-2+
InChIKeyKHLJPGFXTSMUCO-ZWGUTNLNSA-N
XLogP5.11
TPSA73.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(5-bromofuran-2-yl)pyridine-3-carbonitrile
CID 10911901
6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile
CID 68668959
6-[5-[4-(dimethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
CID 155809720
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
CID 69230670
6-[(E)-but-1-enyl]pyridine-3-carbonitrile
CID 154695168
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
4-[(Z)-pent-3-enyl]benzonitrile
CID 83927480
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
6-[4-[2-(4-pentylphenyl)ethyl]phenyl]pyridine-3-carbonitrile
CID 19842065
4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile
CID 170799440

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile?
The IUPAC name of 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile (CID 142904090) is 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile.
What is the SMILES notation for 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile?
The canonical SMILES for 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile is C/C=C(\C)c1ccc(-c2ccc(C#N)cn2)o1.C/C=C/CC#N.
What is the InChIKey of 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile?
The InChIKey is KHLJPGFXTSMUCO-ZWGUTNLNSA-N. The full InChI is InChI=1S/C14H12N2O.C5H7N/c1-3-10(2)13-6-7-14(17-13)12-5-4-11(8-15)9-16-12;1-2-3-4-5-6/h3-7,9H,1-2H3;2-3H,4H2,1H3/b10-3+;3-2+.
What are the key properties of 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile?
6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile has a molecular weight of 305.38 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(E)-but-2-en-2-yl]furan-2-yl]pyridine-3-carbonitrile;(E)-pent-3-enenitrile is sourced from PubChem (CID 142904090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).