4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one

C14H14ClNO — CID 18414110

IUPAC4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one
SMILESO=C1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C14H14ClNO/c15-10-3-6-14-12(7-10)13(8-16-14)9-1-4-11(17)5-2-9/h3,6-9,16H,1-2,4-5H2
InChIKeyZWIKMLAXFAMGDE-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.05
Rot. Bonds1

About 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one

4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one (PubChem CID 18414110) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one
PubChem CID18414110
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one
SMILESO=C1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C14H14ClNO/c15-10-3-6-14-12(7-10)13(8-16-14)9-1-4-11(17)5-2-9/h3,6-9,16H,1-2,4-5H2
InChIKeyZWIKMLAXFAMGDE-UHFFFAOYSA-N
XLogP4.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole
CID 106985287
cis-(2S,5S)-2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one
CID 7353943
trans-(2S,5R)-2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one
CID 7353942
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 113087458
[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113087464
4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
CID 113087497
(5S)-5-(5-chloro-1H-indol-3-yl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 102198835
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 113087483
5-bromo-3-cyclopropyl-1H-indole
CID 103863095
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
tert-butyl 4-(5-chloro-1H-indol-3-yl)piperidine-1-carboxylate;5-chloro-3-piperidin-4-yl-1H-indole;hydrochloride
CID 161384154
(3S)-3-(6-bromo-1H-indol-3-yl)cyclopentan-1-one
CID 99646312

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one?
The IUPAC name of 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one (CID 18414110) is 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one?
The canonical SMILES for 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one is O=C1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one?
The InChIKey is ZWIKMLAXFAMGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-10-3-6-14-12(7-10)13(8-16-14)9-1-4-11(17)5-2-9/h3,6-9,16H,1-2,4-5H2.
What are the key properties of 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one?
4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one has a molecular weight of 247.72 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-indol-3-yl)cyclohexan-1-one is sourced from PubChem (CID 18414110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).