1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one

C15H28N2O3 — CID 58474641

IUPAC1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
SMILESCC(C)(C)CN1CC(OCCN2CCOCC2)CC1=O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)12-17-11-13(10-14(17)18)20-9-6-16-4-7-19-8-5-16/h13H,4-12H2,1-3H3
InChIKeyALCYZTOVQQNYMA-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.98
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one

1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one (PubChem CID 58474641) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
PubChem CID58474641
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one
SMILESCC(C)(C)CN1CC(OCCN2CCOCC2)CC1=O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)12-17-11-13(10-14(17)18)20-9-6-16-4-7-19-8-5-16/h13H,4-12H2,1-3H3
InChIKeyALCYZTOVQQNYMA-UHFFFAOYSA-N
XLogP0.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one (CID 58474641) is 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one is CC(C)(C)CN1CC(OCCN2CCOCC2)CC1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
The InChIKey is ALCYZTOVQQNYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)12-17-11-13(10-14(17)18)20-9-6-16-4-7-19-8-5-16/h13H,4-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one?
1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)pyrrolidin-2-one is sourced from PubChem (CID 58474641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).