2-(1-methylindole-3-carbonyl)cyclopentan-1-one

C15H15NO2 — CID 102291914

IUPAC2-(1-methylindole-3-carbonyl)cyclopentan-1-one
SMILESCn1cc(C(=O)C2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H15NO2/c1-16-9-12(10-5-2-3-7-13(10)16)15(18)11-6-4-8-14(11)17/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyLVHZVXRUYCPYSH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.73
Rot. Bonds2

About 2-(1-methylindole-3-carbonyl)cyclopentan-1-one

2-(1-methylindole-3-carbonyl)cyclopentan-1-one (PubChem CID 102291914) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(1-methylindole-3-carbonyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-methylindole-3-carbonyl)cyclopentan-1-one
PubChem CID102291914
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(1-methylindole-3-carbonyl)cyclopentan-1-one
SMILESCn1cc(C(=O)C2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H15NO2/c1-16-9-12(10-5-2-3-7-13(10)16)15(18)11-6-4-8-14(11)17/h2-3,5,7,9,11H,4,6,8H2,1H3
InChIKeyLVHZVXRUYCPYSH-UHFFFAOYSA-N
XLogP2.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
CID 106892551
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263
1-methylindole-3-carbothioic S-acid
CID 116918837
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
CID 95654424
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79757869
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
2-(1,3-dimethylpyrazole-4-carbonyl)cyclopentan-1-one
CID 102801749

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindole-3-carbonyl)cyclopentan-1-one?
The IUPAC name of 2-(1-methylindole-3-carbonyl)cyclopentan-1-one (CID 102291914) is 2-(1-methylindole-3-carbonyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-methylindole-3-carbonyl)cyclopentan-1-one?
The canonical SMILES for 2-(1-methylindole-3-carbonyl)cyclopentan-1-one is Cn1cc(C(=O)C2CCCC2=O)c2ccccc21.
What is the InChIKey of 2-(1-methylindole-3-carbonyl)cyclopentan-1-one?
The InChIKey is LVHZVXRUYCPYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16-9-12(10-5-2-3-7-13(10)16)15(18)11-6-4-8-14(11)17/h2-3,5,7,9,11H,4,6,8H2,1H3.
What are the key properties of 2-(1-methylindole-3-carbonyl)cyclopentan-1-one?
2-(1-methylindole-3-carbonyl)cyclopentan-1-one has a molecular weight of 241.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindole-3-carbonyl)cyclopentan-1-one is sourced from PubChem (CID 102291914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).