3-(1,6-dimethylindol-3-yl)cyclopentan-1-one

C15H17NO — CID 70798448

IUPAC3-(1,6-dimethylindol-3-yl)cyclopentan-1-one
SMILESCc1ccc2c(C3CCC(=O)C3)cn(C)c2c1
InChIInChI=1S/C15H17NO/c1-10-3-6-13-14(9-16(2)15(13)7-10)11-4-5-12(17)8-11/h3,6-7,9,11H,4-5,8H2,1-2H3
InChIKeyZGKPBPJJDMIWTQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.32
Rot. Bonds1

About 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one

3-(1,6-dimethylindol-3-yl)cyclopentan-1-one (PubChem CID 70798448) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1,6-dimethylindol-3-yl)cyclopentan-1-one
PubChem CID70798448
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(1,6-dimethylindol-3-yl)cyclopentan-1-one
SMILESCc1ccc2c(C3CCC(=O)C3)cn(C)c2c1
InChIInChI=1S/C15H17NO/c1-10-3-6-13-14(9-16(2)15(13)7-10)11-4-5-12(17)8-11/h3,6-7,9,11H,4-5,8H2,1-2H3
InChIKeyZGKPBPJJDMIWTQ-UHFFFAOYSA-N
XLogP3.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one?
The IUPAC name of 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one (CID 70798448) is 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one?
The canonical SMILES for 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one is Cc1ccc2c(C3CCC(=O)C3)cn(C)c2c1.
What is the InChIKey of 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one?
The InChIKey is ZGKPBPJJDMIWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-3-6-13-14(9-16(2)15(13)7-10)11-4-5-12(17)8-11/h3,6-7,9,11H,4-5,8H2,1-2H3.
What are the key properties of 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one?
3-(1,6-dimethylindol-3-yl)cyclopentan-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,6-dimethylindol-3-yl)cyclopentan-1-one is sourced from PubChem (CID 70798448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).