(7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile

C22H16N2 — CID 100933707

IUPAC(7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cnc2c(c1-c1ccccc1)CC/C2=C\c1ccccc1
InChIInChI=1S/C22H16N2/c23-14-19-15-24-22-18(13-16-7-3-1-4-8-16)11-12-20(22)21(19)17-9-5-2-6-10-17/h1-10,13,15H,11-12H2/b18-13+
InChIKeyAULUBCNELNGTMW-QGOAFFKASA-N
MW308.38 g/mol
LogP5.11
Rot. Bonds2

About (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile

(7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile (PubChem CID 100933707) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
PubChem CID100933707
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name(7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cnc2c(c1-c1ccccc1)CC/C2=C\c1ccccc1
InChIInChI=1S/C22H16N2/c23-14-19-15-24-22-18(13-16-7-3-1-4-8-16)11-12-20(22)21(19)17-9-5-2-6-10-17/h1-10,13,15H,11-12H2/b18-13+
InChIKeyAULUBCNELNGTMW-QGOAFFKASA-N
XLogP5.11
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
(8E)-8-benzylidene-4-phenyl-6,7-dihydro-5H-quinazolin-2-amine
CID 13170787
5-chloro-4-methyl-6-phenylpyridine-3-carbonitrile
CID 69057731
(4Z)-4-benzylidene-5-phenyl-2,3-dihydropyrrole
CID 71485632
5-fluoro-4-phenylpyridine-3-carbonitrile
CID 84668137
(8E)-2-(3-chloroanilino)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6,7-dihydro-5H-quinoline-3-carbonitrile
CID 122214384
6-methyl-4-phenylquinoline-3-carbonitrile
CID 141436065
1-(4-methylphenyl)-9H-indeno[2,1-c]pyridine-4-carbonitrile
CID 135012950
3,4-diphenyl-5,6,7,8-tetrahydroisoquinoline
CID 10850716
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
CID 2313575
6-benzylidene-12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 54070128

Frequently Asked Questions

What is the IUPAC name of (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile (CID 100933707) is (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is N#Cc1cnc2c(c1-c1ccccc1)CC/C2=C\c1ccccc1.
What is the InChIKey of (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is AULUBCNELNGTMW-QGOAFFKASA-N. The full InChI is InChI=1S/C22H16N2/c23-14-19-15-24-22-18(13-16-7-3-1-4-8-16)11-12-20(22)21(19)17-9-5-2-6-10-17/h1-10,13,15H,11-12H2/b18-13+.
What are the key properties of (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile?
(7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-benzylidene-4-phenyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 100933707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).