1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one

C11H20N2O2 — CID 114632801

IUPAC1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C2CC(O)C2(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2)8(6-9(11)14)13-5-4-7(12-3)10(13)15/h7-9,12,14H,4-6H2,1-3H3
InChIKeyZCJRXMXAOKFJMF-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds2

About 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one

1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 114632801) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID114632801
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C2CC(O)C2(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-11(2)8(6-9(11)14)13-5-4-7(12-3)10(13)15/h7-9,12,14H,4-6H2,1-3H3
InChIKeyZCJRXMXAOKFJMF-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one (CID 114632801) is 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one is CNC1CCN(C2CC(O)C2(C)C)C1=O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is ZCJRXMXAOKFJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2)8(6-9(11)14)13-5-4-7(12-3)10(13)15/h7-9,12,14H,4-6H2,1-3H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one?
1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 114632801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).