5-cyclohexyl-4-methylpyrrolidin-2-one

C11H19NO — CID 155214705

IUPAC5-cyclohexyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)NC1C1CCCCC1
InChIInChI=1S/C11H19NO/c1-8-7-10(13)12-11(8)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyXCYNMKNWJATLOI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds1

About 5-cyclohexyl-4-methylpyrrolidin-2-one

5-cyclohexyl-4-methylpyrrolidin-2-one (PubChem CID 155214705) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-cyclohexyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-cyclohexyl-4-methylpyrrolidin-2-one
PubChem CID155214705
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-cyclohexyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)NC1C1CCCCC1
InChIInChI=1S/C11H19NO/c1-8-7-10(13)12-11(8)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyXCYNMKNWJATLOI-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-methylpyrrolidin-2-one?
The IUPAC name of 5-cyclohexyl-4-methylpyrrolidin-2-one (CID 155214705) is 5-cyclohexyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for 5-cyclohexyl-4-methylpyrrolidin-2-one?
The canonical SMILES for 5-cyclohexyl-4-methylpyrrolidin-2-one is CC1CC(=O)NC1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-methylpyrrolidin-2-one?
The InChIKey is XCYNMKNWJATLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-7-10(13)12-11(8)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 5-cyclohexyl-4-methylpyrrolidin-2-one?
5-cyclohexyl-4-methylpyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 155214705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).