1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate

C9H16N2O3 — CID 154183318

IUPAC1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESCC(OC(=O)N1CCCC1=O)N(C)C
InChIInChI=1S/C9H16N2O3/c1-7(10(2)3)14-9(13)11-6-4-5-8(11)12/h7H,4-6H2,1-3H3
InChIKeyQSDVKPUQXLIOLV-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds2

About 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate

1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 154183318) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
PubChem CID154183318
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESCC(OC(=O)N1CCCC1=O)N(C)C
InChIInChI=1S/C9H16N2O3/c1-7(10(2)3)14-9(13)11-6-4-5-8(11)12/h7H,4-6H2,1-3H3
InChIKeyQSDVKPUQXLIOLV-UHFFFAOYSA-N
XLogP0.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate 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

propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate
CID 59148760
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-oxopyrrolidine-1-carboxylate
CID 157302779
1-(2-methylpropanoyl)azepan-2-one
CID 86179400
(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
CID 22044534
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate
CID 123751962
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
CID 10932126
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate (CID 154183318) is 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate is CC(OC(=O)N1CCCC1=O)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is QSDVKPUQXLIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(10(2)3)14-9(13)11-6-4-5-8(11)12/h7H,4-6H2,1-3H3.
What are the key properties of 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 154183318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).