5-cyclohexylindol-2-one

C14H15NO — CID 91754974

IUPAC5-cyclohexylindol-2-one
SMILESO=C1C=c2cc(C3CCCCC3)ccc2=N1
InChIInChI=1S/C14H15NO/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyZILUCWRWRBRYTR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.67
Rot. Bonds1

About 5-cyclohexylindol-2-one

5-cyclohexylindol-2-one (PubChem CID 91754974) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-cyclohexylindol-2-one.

Molecular Properties

Compound Name5-cyclohexylindol-2-one
PubChem CID91754974
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5-cyclohexylindol-2-one
SMILESO=C1C=c2cc(C3CCCCC3)ccc2=N1
InChIInChI=1S/C14H15NO/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyZILUCWRWRBRYTR-UHFFFAOYSA-N
XLogP1.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylindol-2-one?
The IUPAC name of 5-cyclohexylindol-2-one (CID 91754974) is 5-cyclohexylindol-2-one.
What is the SMILES notation for 5-cyclohexylindol-2-one?
The canonical SMILES for 5-cyclohexylindol-2-one is O=C1C=c2cc(C3CCCCC3)ccc2=N1.
What is the InChIKey of 5-cyclohexylindol-2-one?
The InChIKey is ZILUCWRWRBRYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10/h6-10H,1-5H2.
What are the key properties of 5-cyclohexylindol-2-one?
5-cyclohexylindol-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylindol-2-one is sourced from PubChem (CID 91754974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).