2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one

C11H21NO2 — CID 47030865

IUPAC2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)COC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)8-14-10(3)11(13)12-6-4-5-7-12/h9-10H,4-8H2,1-3H3
InChIKeyDVRCLAXZOPFZSG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 47030865) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID47030865
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)COC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)8-14-10(3)11(13)12-6-4-5-7-12/h9-10H,4-8H2,1-3H3
InChIKeyDVRCLAXZOPFZSG-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 47030865) is 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one is CC(C)COC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DVRCLAXZOPFZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)8-14-10(3)11(13)12-6-4-5-7-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 47030865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).