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

C9H18N2O2 — CID 155054751

IUPAC3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCNC1=O
InChIInChI=1S/C9H18N2O2/c1-13-7-6-10-4-2-8-3-5-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyHMNLJEUODIALBS-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.25
Rot. Bonds6

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

3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (PubChem CID 155054751) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
PubChem CID155054751
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCNC1=O
InChIInChI=1S/C9H18N2O2/c1-13-7-6-10-4-2-8-3-5-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyHMNLJEUODIALBS-UHFFFAOYSA-N
XLogP-0.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (CID 155054751) is 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is COCCNCCC1CCNC1=O.
What is the InChIKey of 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is HMNLJEUODIALBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-7-6-10-4-2-8-3-5-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 155054751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).