3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one

C11H19NO2 — CID 130686004

IUPAC3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one
SMILESCC1(C)CC(CNC2CCOC2=O)C1
InChIInChI=1S/C11H19NO2/c1-11(2)5-8(6-11)7-12-9-3-4-14-10(9)13/h8-9,12H,3-7H2,1-2H3
InChIKeyKFUBKIDZEGXKQJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds3

About 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one

3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one (PubChem CID 130686004) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one
PubChem CID130686004
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one
SMILESCC1(C)CC(CNC2CCOC2=O)C1
InChIInChI=1S/C11H19NO2/c1-11(2)5-8(6-11)7-12-9-3-4-14-10(9)13/h8-9,12H,3-7H2,1-2H3
InChIKeyKFUBKIDZEGXKQJ-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one (CID 130686004) is 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one is CC1(C)CC(CNC2CCOC2=O)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one?
The InChIKey is KFUBKIDZEGXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-8(6-11)7-12-9-3-4-14-10(9)13/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one?
3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclobutyl)methylamino]oxolan-2-one is sourced from PubChem (CID 130686004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).