1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one

C12H21NO2 — CID 59299526

IUPAC1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one
SMILESCOCC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H21NO2/c1-15-9-10-7-12(14)13(8-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyXSLFVJRLKQUDDP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds3

About 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one

1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one (PubChem CID 59299526) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one
PubChem CID59299526
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one
SMILESCOCC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H21NO2/c1-15-9-10-7-12(14)13(8-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyXSLFVJRLKQUDDP-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one (CID 59299526) is 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one is COCC1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one?
The InChIKey is XSLFVJRLKQUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-9-10-7-12(14)13(8-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one?
1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(methoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 59299526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).