methyl 2-(7-chloroindol-1-yl)propanoate

C12H12ClNO2 — CID 103474207

IUPACmethyl 2-(7-chloroindol-1-yl)propanoate
SMILESCOC(=O)C(C)n1ccc2cccc(Cl)c21
InChIInChI=1S/C12H12ClNO2/c1-8(12(15)16-2)14-7-6-9-4-3-5-10(13)11(9)14/h3-8H,1-2H3
InChIKeyJYMSHWJNFFERNZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.03
Rot. Bonds2

About methyl 2-(7-chloroindol-1-yl)propanoate

methyl 2-(7-chloroindol-1-yl)propanoate (PubChem CID 103474207) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is methyl 2-(7-chloroindol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(7-chloroindol-1-yl)propanoate
PubChem CID103474207
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-(7-chloroindol-1-yl)propanoate
SMILESCOC(=O)C(C)n1ccc2cccc(Cl)c21
InChIInChI=1S/C12H12ClNO2/c1-8(12(15)16-2)14-7-6-9-4-3-5-10(13)11(9)14/h3-8H,1-2H3
InChIKeyJYMSHWJNFFERNZ-UHFFFAOYSA-N
XLogP3.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(7-chloroindol-1-yl)propanoic acid
CID 107427806
2-(7-chloroindol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 103475166
2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide
CID 103475259
methyl 2-(8-ethoxy-4-oxoquinolin-1-yl)propanoate
CID 66487387
methyl 2-(4-fluoroindol-1-yl)propanoate
CID 59466070
methyl (2S)-2-(5-bromoindol-1-yl)propanoate
CID 118001554
2-(7-ethylindol-1-yl)propanoic acid
CID 60735777
2-(7-chloroindol-1-yl)-N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 66908506
methyl 2-chloro-3-[(7-chloroindol-1-yl)methyl]benzoate
CID 171842260
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
CID 46868567
7-chloro-1-(2-methoxyethyl)indole
CID 103474736

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloroindol-1-yl)propanoate?
The IUPAC name of methyl 2-(7-chloroindol-1-yl)propanoate (CID 103474207) is methyl 2-(7-chloroindol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(7-chloroindol-1-yl)propanoate?
The canonical SMILES for methyl 2-(7-chloroindol-1-yl)propanoate is COC(=O)C(C)n1ccc2cccc(Cl)c21.
What is the InChIKey of methyl 2-(7-chloroindol-1-yl)propanoate?
The InChIKey is JYMSHWJNFFERNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8(12(15)16-2)14-7-6-9-4-3-5-10(13)11(9)14/h3-8H,1-2H3.
What are the key properties of methyl 2-(7-chloroindol-1-yl)propanoate?
methyl 2-(7-chloroindol-1-yl)propanoate has a molecular weight of 237.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloroindol-1-yl)propanoate is sourced from PubChem (CID 103474207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).