2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile

C21H15N3 — CID 135160706

IUPAC2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
SMILESC=Cc1c(/C=C\C)n(-c2c(C#N)cccc2C#N)c2ccccc12
InChIInChI=1S/C21H15N3/c1-3-8-19-17(4-2)18-11-5-6-12-20(18)24(19)21-15(13-22)9-7-10-16(21)14-23/h3-12H,2H2,1H3/b8-3-
InChIKeyRPBNKMQJDHEBLL-BAQGIRSFSA-N
MW309.37 g/mol
LogP5.05
Rot. Bonds3

About 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile

2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 135160706) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
PubChem CID135160706
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
SMILESC=Cc1c(/C=C\C)n(-c2c(C#N)cccc2C#N)c2ccccc12
InChIInChI=1S/C21H15N3/c1-3-8-19-17(4-2)18-11-5-6-12-20(18)24(19)21-15(13-22)9-7-10-16(21)14-23/h3-12H,2H2,1H3/b8-3-
InChIKeyRPBNKMQJDHEBLL-BAQGIRSFSA-N
XLogP5.05
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-tri(carbazol-9-yl)-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 131993006
2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166856371
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-9-methylcarbazole
CID 134240129
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
CID 143438004
9-[4-[2-cyano-5-[2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155085788
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole
CID 155283440
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 144604962
[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 174013966
9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile
CID 154958001
2-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)benzene-1,3-dicarbonitrile
CID 121324496
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile (CID 135160706) is 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile is C=Cc1c(/C=C\C)n(-c2c(C#N)cccc2C#N)c2ccccc12.
What is the InChIKey of 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is RPBNKMQJDHEBLL-BAQGIRSFSA-N. The full InChI is InChI=1S/C21H15N3/c1-3-8-19-17(4-2)18-11-5-6-12-20(18)24(19)21-15(13-22)9-7-10-16(21)14-23/h3-12H,2H2,1H3/b8-3-.
What are the key properties of 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile?
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 309.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 135160706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).