5-chloro-3-cyclohexylindol-2-one

C14H14ClNO — CID 23212400

IUPAC5-chloro-3-cyclohexylindol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C1C1CCCCC1
InChIInChI=1S/C14H14ClNO/c15-10-6-7-12-11(8-10)13(14(17)16-12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyGRBIRVCRRFWPNX-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.23
Rot. Bonds1

About 5-chloro-3-cyclohexylindol-2-one

5-chloro-3-cyclohexylindol-2-one (PubChem CID 23212400) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 5-chloro-3-cyclohexylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-cyclohexylindol-2-one
PubChem CID23212400
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name5-chloro-3-cyclohexylindol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C1C1CCCCC1
InChIInChI=1S/C14H14ClNO/c15-10-6-7-12-11(8-10)13(14(17)16-12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyGRBIRVCRRFWPNX-UHFFFAOYSA-N
XLogP2.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclohexylindol-2-one?
The IUPAC name of 5-chloro-3-cyclohexylindol-2-one (CID 23212400) is 5-chloro-3-cyclohexylindol-2-one.
What is the SMILES notation for 5-chloro-3-cyclohexylindol-2-one?
The canonical SMILES for 5-chloro-3-cyclohexylindol-2-one is O=C1N=c2ccc(Cl)cc2=C1C1CCCCC1.
What is the InChIKey of 5-chloro-3-cyclohexylindol-2-one?
The InChIKey is GRBIRVCRRFWPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-10-6-7-12-11(8-10)13(14(17)16-12)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 5-chloro-3-cyclohexylindol-2-one?
5-chloro-3-cyclohexylindol-2-one has a molecular weight of 247.72 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexylindol-2-one is sourced from PubChem (CID 23212400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).