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

C9H16N2O3 — CID 21392396

IUPAC2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCCC1=O
InChIInChI=1S/C9H16N2O3/c1-10(2)6-7-14-9(13)11-5-3-4-8(11)12/h3-7H2,1-2H3
InChIKeyTVMFRTXPQIEXOA-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.31
Rot. Bonds3

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

2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 21392396) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
PubChem CID21392396
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCCC1=O
InChIInChI=1S/C9H16N2O3/c1-10(2)6-7-14-9(13)11-5-3-4-8(11)12/h3-7H2,1-2H3
InChIKeyTVMFRTXPQIEXOA-UHFFFAOYSA-N
XLogP0.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate (CID 21392396) is 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate is CN(C)CCOC(=O)N1CCCC1=O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is TVMFRTXPQIEXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10(2)6-7-14-9(13)11-5-3-4-8(11)12/h3-7H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate?
2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 21392396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).