1-(2-propan-2-yloxyethyl)pyrrolidin-2-one

C9H17NO2 — CID 58735421

IUPAC1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
SMILESCC(C)OCCN1CCCC1=O
InChIInChI=1S/C9H17NO2/c1-8(2)12-7-6-10-5-3-4-9(10)11/h8H,3-7H2,1-2H3
InChIKeyOUOGPDYXGUXEOL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds4

About 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one

1-(2-propan-2-yloxyethyl)pyrrolidin-2-one (PubChem CID 58735421) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
PubChem CID58735421
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
SMILESCC(C)OCCN1CCCC1=O
InChIInChI=1S/C9H17NO2/c1-8(2)12-7-6-10-5-3-4-9(10)11/h8H,3-7H2,1-2H3
InChIKeyOUOGPDYXGUXEOL-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diethoxypropyl)pyrrolidin-2-one
CID 63628099
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 166881501
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
2-[2-(2-oxopyrrolidin-1-yl)ethoxycarbonyloxy]ethyl 2,2,3-trimethylbutanoate
CID 130382780
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 104766118
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
1-[2-[5-(propan-2-yloxymethyl)quinolin-8-yl]oxyethyl]pyrrolidin-2-one
CID 23907643
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one (CID 58735421) is 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one is CC(C)OCCN1CCCC1=O.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
The InChIKey is OUOGPDYXGUXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)12-7-6-10-5-3-4-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one?
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 58735421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).