3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one

C11H20N2O2 — CID 83028716

IUPAC3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
SMILESCC1(C)CC(N2CCC(N)C2=O)CCO1
InChIInChI=1S/C11H20N2O2/c1-11(2)7-8(4-6-15-11)13-5-3-9(12)10(13)14/h8-9H,3-7,12H2,1-2H3
InChIKeyPOXKNAJQPAJURK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.50
Rot. Bonds1

About 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one

3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one (PubChem CID 83028716) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
PubChem CID83028716
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
SMILESCC1(C)CC(N2CCC(N)C2=O)CCO1
InChIInChI=1S/C11H20N2O2/c1-11(2)7-8(4-6-15-11)13-5-3-9(12)10(13)14/h8-9H,3-7,12H2,1-2H3
InChIKeyPOXKNAJQPAJURK-UHFFFAOYSA-N
XLogP0.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one (CID 83028716) is 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one is CC1(C)CC(N2CCC(N)C2=O)CCO1.
What is the InChIKey of 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
The InChIKey is POXKNAJQPAJURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2)7-8(4-6-15-11)13-5-3-9(12)10(13)14/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 83028716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).