2-(6-chloroindol-1-yl)-1-cyclopentylethanone

C15H16ClNO — CID 104751262

IUPAC2-(6-chloroindol-1-yl)-1-cyclopentylethanone
SMILESO=C(Cn1ccc2ccc(Cl)cc21)C1CCCC1
InChIInChI=1S/C15H16ClNO/c16-13-6-5-11-7-8-17(14(11)9-13)10-15(18)12-3-1-2-4-12/h5-9,12H,1-4,10H2
InChIKeyFPTJEKTZQLHIDP-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.05
Rot. Bonds3

About 2-(6-chloroindol-1-yl)-1-cyclopentylethanone

2-(6-chloroindol-1-yl)-1-cyclopentylethanone (PubChem CID 104751262) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-1-cyclopentylethanone
PubChem CID104751262
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(6-chloroindol-1-yl)-1-cyclopentylethanone
SMILESO=C(Cn1ccc2ccc(Cl)cc21)C1CCCC1
InChIInChI=1S/C15H16ClNO/c16-13-6-5-11-7-8-17(14(11)9-13)10-15(18)12-3-1-2-4-12/h5-9,12H,1-4,10H2
InChIKeyFPTJEKTZQLHIDP-UHFFFAOYSA-N
XLogP4.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94467337
1-[2-(6-chloroindol-1-yl)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 71887294
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
CID 104751578
6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
CID 107914201
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-1-cyclopentylethanone?
The IUPAC name of 2-(6-chloroindol-1-yl)-1-cyclopentylethanone (CID 104751262) is 2-(6-chloroindol-1-yl)-1-cyclopentylethanone.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-1-cyclopentylethanone?
The canonical SMILES for 2-(6-chloroindol-1-yl)-1-cyclopentylethanone is O=C(Cn1ccc2ccc(Cl)cc21)C1CCCC1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-1-cyclopentylethanone?
The InChIKey is FPTJEKTZQLHIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-13-6-5-11-7-8-17(14(11)9-13)10-15(18)12-3-1-2-4-12/h5-9,12H,1-4,10H2.
What are the key properties of 2-(6-chloroindol-1-yl)-1-cyclopentylethanone?
2-(6-chloroindol-1-yl)-1-cyclopentylethanone has a molecular weight of 261.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-1-cyclopentylethanone is sourced from PubChem (CID 104751262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).