4-[2-(5-methylindol-1-yl)acetyl]benzonitrile

C18H14N2O — CID 63554605

IUPAC4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
SMILESCc1ccc2c(ccn2CC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C18H14N2O/c1-13-2-7-17-16(10-13)8-9-20(17)12-18(21)15-5-3-14(11-19)4-6-15/h2-10H,12H2,1H3
InChIKeyBPZIGOCITGBMJX-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.70
Rot. Bonds3

About 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile

4-[2-(5-methylindol-1-yl)acetyl]benzonitrile (PubChem CID 63554605) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
PubChem CID63554605
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
SMILESCc1ccc2c(ccn2CC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C18H14N2O/c1-13-2-7-17-16(10-13)8-9-20(17)12-18(21)15-5-3-14(11-19)4-6-15/h2-10H,12H2,1H3
InChIKeyBPZIGOCITGBMJX-UHFFFAOYSA-N
XLogP3.70
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
4-[2-(3-ethyl-2-oxoimidazol-1-yl)acetyl]benzonitrile
CID 80581056
4-[2-(2-methylimidazol-1-yl)acetyl]benzonitrile
CID 43797892
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
CID 63554614
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
4-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]benzonitrile
CID 62025794

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile?
The IUPAC name of 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile (CID 63554605) is 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile.
What is the SMILES notation for 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile?
The canonical SMILES for 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile is Cc1ccc2c(ccn2CC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile?
The InChIKey is BPZIGOCITGBMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-2-7-17-16(10-13)8-9-20(17)12-18(21)15-5-3-14(11-19)4-6-15/h2-10H,12H2,1H3.
What are the key properties of 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile?
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylindol-1-yl)acetyl]benzonitrile is sourced from PubChem (CID 63554605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).