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

C12H22N2O — CID 83533637

IUPAC1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H22N2O/c1-13-8-10-7-12(15)14(9-10)11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3
InChIKeyRUOCPODMDOTMPZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds3

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

1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one (PubChem CID 83533637) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
PubChem CID83533637
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H22N2O/c1-13-8-10-7-12(15)14(9-10)11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3
InChIKeyRUOCPODMDOTMPZ-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one (CID 83533637) is 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one is CNCC1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one?
The InChIKey is RUOCPODMDOTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-8-10-7-12(15)14(9-10)11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one?
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 83533637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).