2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid

C15H16ClNO2 — CID 83785093

IUPAC2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid
SMILESO=C(O)Cc1cn(C2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C15H16ClNO2/c16-11-5-6-14-13(8-11)10(7-15(18)19)9-17(14)12-3-1-2-4-12/h5-6,8-9,12H,1-4,7H2,(H,18,19)
InChIKeyXMSJFBIRQLZBNB-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.04
Rot. Bonds3

About 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid

2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid (PubChem CID 83785093) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid
PubChem CID83785093
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid
SMILESO=C(O)Cc1cn(C2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C15H16ClNO2/c16-11-5-6-14-13(8-11)10(7-15(18)19)9-17(14)12-3-1-2-4-12/h5-6,8-9,12H,1-4,7H2,(H,18,19)
InChIKeyXMSJFBIRQLZBNB-UHFFFAOYSA-N
XLogP4.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid?
The IUPAC name of 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid (CID 83785093) is 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid is O=C(O)Cc1cn(C2CCCC2)c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid?
The InChIKey is XMSJFBIRQLZBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-11-5-6-14-13(8-11)10(7-15(18)19)9-17(14)12-3-1-2-4-12/h5-6,8-9,12H,1-4,7H2,(H,18,19).
What are the key properties of 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid?
2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid has a molecular weight of 277.75 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-cyclopentylindol-3-yl)acetic acid is sourced from PubChem (CID 83785093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).