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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Related Compounds

3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
CID 83039430
2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 83036096
3-butan-2-yl-1-(2,2-dimethyloxan-4-yl)-1,4-diazepane-2,5-dione
CID 83036095
1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
CID 83039442
3-amino-1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-2-one
CID 79359236
(3R)-3-amino-1-cyclobutylpyrrolidin-2-one
CID 94423916
4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83040179
3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one
CID 64732496
3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one
CID 130987434
3-amino-1-(azetidin-3-yl)pyrrolidin-2-one
CID 163240977
1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
CID 83039336
1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 83040418

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).