3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one

C12H22N2O2 — CID 109397990

IUPAC3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N(C)CC2CCCC2O)C1=O
InChIInChI=1S/C12H22N2O2/c1-13-7-6-10(12(13)16)14(2)8-9-4-3-5-11(9)15/h9-11,15H,3-8H2,1-2H3
InChIKeyMHYJNKWNBSCVTC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds3

About 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one

3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one (PubChem CID 109397990) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one
PubChem CID109397990
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N(C)CC2CCCC2O)C1=O
InChIInChI=1S/C12H22N2O2/c1-13-7-6-10(12(13)16)14(2)8-9-4-3-5-11(9)15/h9-11,15H,3-8H2,1-2H3
InChIKeyMHYJNKWNBSCVTC-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one (CID 109397990) is 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one is CN1CCC(N(C)CC2CCCC2O)C1=O.
What is the InChIKey of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is MHYJNKWNBSCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-7-6-10(12(13)16)14(2)8-9-4-3-5-11(9)15/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one?
3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclopentyl)methyl-methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 109397990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).