ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate

C16H18N2O2 — CID 67284122

IUPACethyl 4-(4-cyano-1-methylindol-7-yl)butanoate
SMILESCCOC(=O)CCCc1ccc(C#N)c2ccn(C)c12
InChIInChI=1S/C16H18N2O2/c1-3-20-15(19)6-4-5-12-7-8-13(11-17)14-9-10-18(2)16(12)14/h7-10H,3-6H2,1-2H3
InChIKeyMYNHIXZAHDIOFH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.94
Rot. Bonds5

About ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate

ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate (PubChem CID 67284122) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-cyano-1-methylindol-7-yl)butanoate
PubChem CID67284122
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 4-(4-cyano-1-methylindol-7-yl)butanoate
SMILESCCOC(=O)CCCc1ccc(C#N)c2ccn(C)c12
InChIInChI=1S/C16H18N2O2/c1-3-20-15(19)6-4-5-12-7-8-13(11-17)14-9-10-18(2)16(12)14/h7-10H,3-6H2,1-2H3
InChIKeyMYNHIXZAHDIOFH-UHFFFAOYSA-N
XLogP2.94
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-cyanonaphthalen-1-yl)acetate
CID 72942952
1-methyl-4-(3-oxopropyl)indole-7-carbonitrile
CID 88568061
ethyl 2-[4-cyano-2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134655659
ethyl 4-(4-cyanoindazol-1-yl)butanoate
CID 59316779
ethyl 2-[2-(bromomethyl)-4-cyano-3-(trifluoromethoxy)phenyl]acetate
CID 134652983
diethyl butanedioate;2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765817
ethyl 2-(3-cyano-2,6-dimethoxyphenyl)acetate
CID 134655715
ethyl 2-[4-cyano-2-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 134653381
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
ethyl 4-[(4-cyano-3-methoxyphenyl)methylamino]butanoate
CID 106787556
ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate
CID 144536169
ethyl 2-(3-cyano-4-methoxyphenyl)acetate
CID 134652114

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate?
The IUPAC name of ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate (CID 67284122) is ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate.
What is the SMILES notation for ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate?
The canonical SMILES for ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate is CCOC(=O)CCCc1ccc(C#N)c2ccn(C)c12.
What is the InChIKey of ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate?
The InChIKey is MYNHIXZAHDIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-15(19)6-4-5-12-7-8-13(11-17)14-9-10-18(2)16(12)14/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate?
ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate has a molecular weight of 270.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyano-1-methylindol-7-yl)butanoate is sourced from PubChem (CID 67284122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).