3-cyclohexylindol-2-one

C14H15NO — CID 156698898

IUPAC3-cyclohexylindol-2-one
SMILESO=C1N=c2ccccc2=C1C1CCCCC1
InChIInChI=1S/C14H15NO/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-14/h4-5,8-10H,1-3,6-7H2
InChIKeyINFUSIOSHVULGE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.58
Rot. Bonds1

About 3-cyclohexylindol-2-one

3-cyclohexylindol-2-one (PubChem CID 156698898) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-cyclohexylindol-2-one.

Molecular Properties

Compound Name3-cyclohexylindol-2-one
PubChem CID156698898
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-cyclohexylindol-2-one
SMILESO=C1N=c2ccccc2=C1C1CCCCC1
InChIInChI=1S/C14H15NO/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-14/h4-5,8-10H,1-3,6-7H2
InChIKeyINFUSIOSHVULGE-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylindol-2-one?
The IUPAC name of 3-cyclohexylindol-2-one (CID 156698898) is 3-cyclohexylindol-2-one.
What is the SMILES notation for 3-cyclohexylindol-2-one?
The canonical SMILES for 3-cyclohexylindol-2-one is O=C1N=c2ccccc2=C1C1CCCCC1.
What is the InChIKey of 3-cyclohexylindol-2-one?
The InChIKey is INFUSIOSHVULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-14/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 3-cyclohexylindol-2-one?
3-cyclohexylindol-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylindol-2-one is sourced from PubChem (CID 156698898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).