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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Related Compounds

3-[6-methyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]cyclopentan-1-one
CID 129193699
3-(2-iodo-5-methylphenyl)cyclopentan-1-one
CID 130045192
1,5-dimethyl-3-(oxan-4-yl)indole
CID 170793056
3-(2,4,5-trimethylphenyl)cyclopentan-1-one
CID 64989713
1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110361
3-(1,2-dimethylimidazol-4-yl)cyclopentan-1-one
CID 121317464
2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
CID 116546935
4-(2-aminoethyl)benzenethiol;1,6-dimethyl-3-pyrrolidin-3-ylindole
CID 143396108
6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole
CID 58512228
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
CID 154953984
3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one
CID 83529755
1-methyl-3-(1-methylpiperidin-4-yl)-6-propan-2-ylindole
CID 170254751

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).