4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile

C18H16N2 — CID 62705557

IUPAC4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile
SMILESCCc1c(-c2ccc(C#N)cc2)c(C)n2ccccc12
InChIInChI=1S/C18H16N2/c1-3-16-17-6-4-5-11-20(17)13(2)18(16)15-9-7-14(12-19)8-10-15/h4-11H,3H2,1-2H3
InChIKeyMTEKMCHXFGUJSZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.35
Rot. Bonds2

About 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile

4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile (PubChem CID 62705557) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile
PubChem CID62705557
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile
SMILESCCc1c(-c2ccc(C#N)cc2)c(C)n2ccccc12
InChIInChI=1S/C18H16N2/c1-3-16-17-6-4-5-11-20(17)13(2)18(16)15-9-7-14(12-19)8-10-15/h4-11H,3H2,1-2H3
InChIKeyMTEKMCHXFGUJSZ-UHFFFAOYSA-N
XLogP4.35
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
1,3-dimethyl-2-phenylindolizine
CID 165358792
ethanol;4-[2,3,4,5,6-pentakis(4-cyanophenyl)phenyl]benzonitrile
CID 139144298
1-ethyl-3-(1-methyl-2-naphthalen-2-ylindolizin-3-yl)-2-naphthalen-2-ylindolizine
CID 163867802
1-bromo-2-(4-methylphenyl)indolizine-3-carbonitrile
CID 19759531
4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379
4-(4-ethyl-2-methyl-5-naphthalen-2-yl-1H-pyrrol-3-yl)benzonitrile
CID 23583478
4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile
CID 163734781
methyl 1-benzoyl-2-(4-cyanophenyl)indolizine-3-carboxylate
CID 11280435
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
ethyl 3-cyano-2-ethylindolizine-1-carboxylate
CID 86231080

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile?
The IUPAC name of 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile (CID 62705557) is 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile.
What is the SMILES notation for 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile?
The canonical SMILES for 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile is CCc1c(-c2ccc(C#N)cc2)c(C)n2ccccc12.
What is the InChIKey of 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile?
The InChIKey is MTEKMCHXFGUJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-16-17-6-4-5-11-20(17)13(2)18(16)15-9-7-14(12-19)8-10-15/h4-11H,3H2,1-2H3.
What are the key properties of 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile?
4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylindolizin-2-yl)benzonitrile is sourced from PubChem (CID 62705557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).