2-(3-chloroindol-1-yl)-1-cyclopentylethanone

C15H16ClNO — CID 104751384

IUPAC2-(3-chloroindol-1-yl)-1-cyclopentylethanone
SMILESO=C(Cn1cc(Cl)c2ccccc21)C1CCCC1
InChIInChI=1S/C15H16ClNO/c16-13-9-17(14-8-4-3-7-12(13)14)10-15(18)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeySHWBAPNAGRIWLN-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.05
Rot. Bonds3

About 2-(3-chloroindol-1-yl)-1-cyclopentylethanone

2-(3-chloroindol-1-yl)-1-cyclopentylethanone (PubChem CID 104751384) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(3-chloroindol-1-yl)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(3-chloroindol-1-yl)-1-cyclopentylethanone
PubChem CID104751384
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-(3-chloroindol-1-yl)-1-cyclopentylethanone
SMILESO=C(Cn1cc(Cl)c2ccccc21)C1CCCC1
InChIInChI=1S/C15H16ClNO/c16-13-9-17(14-8-4-3-7-12(13)14)10-15(18)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeySHWBAPNAGRIWLN-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

1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
2-(3-chloroindol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 63566698
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
2-(3-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62804114

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroindol-1-yl)-1-cyclopentylethanone?
The IUPAC name of 2-(3-chloroindol-1-yl)-1-cyclopentylethanone (CID 104751384) is 2-(3-chloroindol-1-yl)-1-cyclopentylethanone.
What is the SMILES notation for 2-(3-chloroindol-1-yl)-1-cyclopentylethanone?
The canonical SMILES for 2-(3-chloroindol-1-yl)-1-cyclopentylethanone is O=C(Cn1cc(Cl)c2ccccc21)C1CCCC1.
What is the InChIKey of 2-(3-chloroindol-1-yl)-1-cyclopentylethanone?
The InChIKey is SHWBAPNAGRIWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-13-9-17(14-8-4-3-7-12(13)14)10-15(18)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2.
What are the key properties of 2-(3-chloroindol-1-yl)-1-cyclopentylethanone?
2-(3-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-(3-chloroindol-1-yl)-1-cyclopentylethanone is sourced from PubChem (CID 104751384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).