3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one

C9H17NO3 — CID 104679374

IUPAC3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
SMILESCOCCOCCC1CCNC1=O
InChIInChI=1S/C9H17NO3/c1-12-6-7-13-5-3-8-2-4-10-9(8)11/h8H,2-7H2,1H3,(H,10,11)
InChIKeyFENICWAQIDJILE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.18
Rot. Bonds6

About 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one

3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one (PubChem CID 104679374) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
PubChem CID104679374
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
SMILESCOCCOCCC1CCNC1=O
InChIInChI=1S/C9H17NO3/c1-12-6-7-13-5-3-8-2-4-10-9(8)11/h8H,2-7H2,1H3,(H,10,11)
InChIKeyFENICWAQIDJILE-UHFFFAOYSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methoxyethoxy)ethyl]azepan-2-one
CID 104679615
3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one
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3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 155054751
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
CID 104567454
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one
CID 104563945
3-(3-oxobutyl)pyrrolidin-2-one
CID 82416368
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one
CID 106993166
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-(2-oxopyrrolidin-3-yl)propanal
CID 19979689
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-(3-methylsulfonylpropyl)pyrrolidin-2-one
CID 104679318

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one (CID 104679374) is 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one is COCCOCCC1CCNC1=O.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one?
The InChIKey is FENICWAQIDJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-6-7-13-5-3-8-2-4-10-9(8)11/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one?
3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 104679374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).