2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile

C20H18N2O — CID 58378218

IUPAC2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile
SMILESCC/C=C\c1c(C#N)c2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C20H18N2O/c1-3-4-8-20-18(14-21)17-7-5-6-9-19(17)22(20)15-10-12-16(23-2)13-11-15/h4-13H,3H2,1-2H3/b8-4-
InChIKeyLIRNFFOEIAGXKB-YWEYNIOJSA-N
MW302.38 g/mol
LogP4.93
Rot. Bonds4

About 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile

2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile (PubChem CID 58378218) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile
PubChem CID58378218
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile
SMILESCC/C=C\c1c(C#N)c2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C20H18N2O/c1-3-4-8-20-18(14-21)17-7-5-6-9-19(17)22(20)15-10-12-16(23-2)13-11-15/h4-13H,3H2,1-2H3/b8-4-
InChIKeyLIRNFFOEIAGXKB-YWEYNIOJSA-N
XLogP4.93
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile?
The IUPAC name of 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile (CID 58378218) is 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile?
The canonical SMILES for 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile is CC/C=C\c1c(C#N)c2ccccc2n1-c1ccc(OC)cc1.
What is the InChIKey of 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile?
The InChIKey is LIRNFFOEIAGXKB-YWEYNIOJSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-4-8-20-18(14-21)17-7-5-6-9-19(17)22(20)15-10-12-16(23-2)13-11-15/h4-13H,3H2,1-2H3/b8-4-.
What are the key properties of 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile?
2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-1-(4-methoxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 58378218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).