1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone

C9H17NO2 — CID 134918502

IUPAC1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCCC1OC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)12-9-5-4-6-10(9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeySJKHAQHAQUJRDY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds2

About 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone

1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone (PubChem CID 134918502) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone
PubChem CID134918502
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCCC1OC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)12-9-5-4-6-10(9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeySJKHAQHAQUJRDY-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone (CID 134918502) is 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone is CC(=O)N1CCCC1OC(C)C.
What is the InChIKey of 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is SJKHAQHAQUJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)12-9-5-4-6-10(9)8(3)11/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone?
1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 134918502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).