3-cyclohexyl-7-methylindol-2-one

C15H17NO — CID 156698902

IUPAC3-cyclohexyl-7-methylindol-2-one
SMILESCc1cccc2c1=NC(=O)C=2C1CCCCC1
InChIInChI=1S/C15H17NO/c1-10-6-5-9-12-13(15(17)16-14(10)12)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyVDAGXQARWZFXTL-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.89
Rot. Bonds1

About 3-cyclohexyl-7-methylindol-2-one

3-cyclohexyl-7-methylindol-2-one (PubChem CID 156698902) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-cyclohexyl-7-methylindol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-7-methylindol-2-one
PubChem CID156698902
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-cyclohexyl-7-methylindol-2-one
SMILESCc1cccc2c1=NC(=O)C=2C1CCCCC1
InChIInChI=1S/C15H17NO/c1-10-6-5-9-12-13(15(17)16-14(10)12)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyVDAGXQARWZFXTL-UHFFFAOYSA-N
XLogP1.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-methylindol-2-one?
The IUPAC name of 3-cyclohexyl-7-methylindol-2-one (CID 156698902) is 3-cyclohexyl-7-methylindol-2-one.
What is the SMILES notation for 3-cyclohexyl-7-methylindol-2-one?
The canonical SMILES for 3-cyclohexyl-7-methylindol-2-one is Cc1cccc2c1=NC(=O)C=2C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-7-methylindol-2-one?
The InChIKey is VDAGXQARWZFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-6-5-9-12-13(15(17)16-14(10)12)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 3-cyclohexyl-7-methylindol-2-one?
3-cyclohexyl-7-methylindol-2-one has a molecular weight of 227.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-methylindol-2-one is sourced from PubChem (CID 156698902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).