(1-methylpyrrolidin-3-yl)methyl pentanoate

C11H21NO2 — CID 70330567

IUPAC(1-methylpyrrolidin-3-yl)methyl pentanoate
SMILESCCCCC(=O)OCC1CCN(C)C1
InChIInChI=1S/C11H21NO2/c1-3-4-5-11(13)14-9-10-6-7-12(2)8-10/h10H,3-9H2,1-2H3
InChIKeyGQSYKNCEPRHWNX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds5

About (1-methylpyrrolidin-3-yl)methyl pentanoate

(1-methylpyrrolidin-3-yl)methyl pentanoate (PubChem CID 70330567) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)methyl pentanoate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)methyl pentanoate
PubChem CID70330567
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1-methylpyrrolidin-3-yl)methyl pentanoate
SMILESCCCCC(=O)OCC1CCN(C)C1
InChIInChI=1S/C11H21NO2/c1-3-4-5-11(13)14-9-10-6-7-12(2)8-10/h10H,3-9H2,1-2H3
InChIKeyGQSYKNCEPRHWNX-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 (1-methylpyrrolidin-3-yl)methyl pentanoate?
The IUPAC name of (1-methylpyrrolidin-3-yl)methyl pentanoate (CID 70330567) is (1-methylpyrrolidin-3-yl)methyl pentanoate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)methyl pentanoate?
The canonical SMILES for (1-methylpyrrolidin-3-yl)methyl pentanoate is CCCCC(=O)OCC1CCN(C)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)methyl pentanoate?
The InChIKey is GQSYKNCEPRHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-11(13)14-9-10-6-7-12(2)8-10/h10H,3-9H2,1-2H3.
What are the key properties of (1-methylpyrrolidin-3-yl)methyl pentanoate?
(1-methylpyrrolidin-3-yl)methyl pentanoate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)methyl pentanoate is sourced from PubChem (CID 70330567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).