ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate

C11H21NO2 — CID 126659444

IUPACethyl 1-methyl-3-propylpyrrolidine-3-carboxylate
SMILESCCCC1(C(=O)OCC)CCN(C)C1
InChIInChI=1S/C11H21NO2/c1-4-6-11(10(13)14-5-2)7-8-12(3)9-11/h4-9H2,1-3H3
InChIKeyRRGAMUPMEPPSLD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate

ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate (PubChem CID 126659444) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-propylpyrrolidine-3-carboxylate
PubChem CID126659444
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 1-methyl-3-propylpyrrolidine-3-carboxylate
SMILESCCCC1(C(=O)OCC)CCN(C)C1
InChIInChI=1S/C11H21NO2/c1-4-6-11(10(13)14-5-2)7-8-12(3)9-11/h4-9H2,1-3H3
InChIKeyRRGAMUPMEPPSLD-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate (CID 126659444) is ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate is CCCC1(C(=O)OCC)CCN(C)C1.
What is the InChIKey of ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
The InChIKey is RRGAMUPMEPPSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-11(10(13)14-5-2)7-8-12(3)9-11/h4-9H2,1-3H3.
What are the key properties of ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate?
ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-propylpyrrolidine-3-carboxylate is sourced from PubChem (CID 126659444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).