1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one

C11H22N2O3 — CID 63696542

IUPAC1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
SMILESCOC(CNC(C)CN1CCCC1=O)OC
InChIInChI=1S/C11H22N2O3/c1-9(12-7-11(15-2)16-3)8-13-6-4-5-10(13)14/h9,11-12H,4-8H2,1-3H3
InChIKeyASBKRPXRHHAWEM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.21
Rot. Bonds7

About 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one

1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one (PubChem CID 63696542) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
PubChem CID63696542
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
SMILESCOC(CNC(C)CN1CCCC1=O)OC
InChIInChI=1S/C11H22N2O3/c1-9(12-7-11(15-2)16-3)8-13-6-4-5-10(13)14/h9,11-12H,4-8H2,1-3H3
InChIKeyASBKRPXRHHAWEM-UHFFFAOYSA-N
XLogP0.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-(2-ethoxy-2-methoxyethyl)pyrrolidin-2-one
CID 155174816
1-[2-[(3-methoxy-3-methylbutan-2-yl)amino]propyl]pyrrolidin-2-one
CID 114228203
1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
CID 81411750
tert-butyl N-[2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]carbamate
CID 115607353
1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
CID 81418600
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate
CID 60931463
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one (CID 63696542) is 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one is COC(CNC(C)CN1CCCC1=O)OC.
What is the InChIKey of 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one?
The InChIKey is ASBKRPXRHHAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(12-7-11(15-2)16-3)8-13-6-4-5-10(13)14/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one?
1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one has a molecular weight of 230.31 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 63696542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).