5-(cyclohexylmethyl)pyrrolidin-2-one

C11H19NO — CID 558370

IUPAC5-(cyclohexylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC2CCCCC2)N1
InChIInChI=1S/C11H19NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,12,13)
InChIKeyKLRBTOVJAIAXOI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.24
Rot. Bonds2

About 5-(cyclohexylmethyl)pyrrolidin-2-one

5-(cyclohexylmethyl)pyrrolidin-2-one (PubChem CID 558370) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)pyrrolidin-2-one
PubChem CID558370
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-(cyclohexylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC2CCCCC2)N1
InChIInChI=1S/C11H19NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,12,13)
InChIKeyKLRBTOVJAIAXOI-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-(cyclohexylmethyl)pyrrolidin-2-one (CID 558370) is 5-(cyclohexylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(cyclohexylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(cyclohexylmethyl)pyrrolidin-2-one is O=C1CCC(CC2CCCCC2)N1.
What is the InChIKey of 5-(cyclohexylmethyl)pyrrolidin-2-one?
The InChIKey is KLRBTOVJAIAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,12,13).
What are the key properties of 5-(cyclohexylmethyl)pyrrolidin-2-one?
5-(cyclohexylmethyl)pyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 558370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).