5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile

C21H22N2 — CID 166763275

IUPAC5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile
SMILESC=C(C)c1ccccc1C(=C)Nc1ccc(CCC)c(C#N)c1
InChIInChI=1S/C21H22N2/c1-5-8-17-11-12-19(13-18(17)14-22)23-16(4)21-10-7-6-9-20(21)15(2)3/h6-7,9-13,23H,2,4-5,8H2,1,3H3
InChIKeyRLIYFNVYXHYKDU-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.63
Rot. Bonds6

About 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile

5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile (PubChem CID 166763275) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile.

Molecular Properties

Compound Name5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile
PubChem CID166763275
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile
SMILESC=C(C)c1ccccc1C(=C)Nc1ccc(CCC)c(C#N)c1
InChIInChI=1S/C21H22N2/c1-5-8-17-11-12-19(13-18(17)14-22)23-16(4)21-10-7-6-9-20(21)15(2)3/h6-7,9-13,23H,2,4-5,8H2,1,3H3
InChIKeyRLIYFNVYXHYKDU-UHFFFAOYSA-N
XLogP5.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-butyl-3-cyanophenyl)carbamoyl]benzoic acid
CID 90451445
2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile
CID 166763209
2-[[3-cyano-4-(3-oxobutyl)phenyl]carbamoyl]benzoic acid
CID 157435847
3-[1-(4-butylanilino)ethenyl]-2-prop-1-en-2-ylbenzonitrile
CID 166763124
2,5-dipropylbenzonitrile
CID 21491971
2-ethyl-5-[3-(2-formylphenyl)but-3-en-2-ylamino]benzonitrile
CID 144718544
5-methylsulfanyl-2-propylbenzonitrile
CID 91881460
3-ethyl-N-[1-[3-methyl-4-(3-propylhex-2-en-2-yl)phenyl]ethenyl]-4-propylaniline
CID 166726359
2-methyl-4-(2-propylanilino)benzonitrile
CID 81281672
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
N-(3,4-dicyanophenyl)acetamide
CID 12938829

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile?
The IUPAC name of 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile (CID 166763275) is 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile.
What is the SMILES notation for 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile?
The canonical SMILES for 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile is C=C(C)c1ccccc1C(=C)Nc1ccc(CCC)c(C#N)c1.
What is the InChIKey of 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile?
The InChIKey is RLIYFNVYXHYKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-5-8-17-11-12-19(13-18(17)14-22)23-16(4)21-10-7-6-9-20(21)15(2)3/h6-7,9-13,23H,2,4-5,8H2,1,3H3.
What are the key properties of 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile?
5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile has a molecular weight of 302.42 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-prop-1-en-2-ylphenyl)ethenylamino]-2-propylbenzonitrile is sourced from PubChem (CID 166763275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).