(1-methylpyrrolidin-3-yl)methyl butanoate

C10H19NO2 — CID 70330566

IUPAC(1-methylpyrrolidin-3-yl)methyl butanoate
SMILESCCCC(=O)OCC1CCN(C)C1
InChIInChI=1S/C10H19NO2/c1-3-4-10(12)13-8-9-5-6-11(2)7-9/h9H,3-8H2,1-2H3
InChIKeyZJLBPOYJJQIQCZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds4

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

(1-methylpyrrolidin-3-yl)methyl butanoate (PubChem CID 70330566) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)methyl butanoate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)methyl butanoate
PubChem CID70330566
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1-methylpyrrolidin-3-yl)methyl butanoate
SMILESCCCC(=O)OCC1CCN(C)C1
InChIInChI=1S/C10H19NO2/c1-3-4-10(12)13-8-9-5-6-11(2)7-9/h9H,3-8H2,1-2H3
InChIKeyZJLBPOYJJQIQCZ-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
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 butanoate?
The IUPAC name of (1-methylpyrrolidin-3-yl)methyl butanoate (CID 70330566) is (1-methylpyrrolidin-3-yl)methyl butanoate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)methyl butanoate?
The canonical SMILES for (1-methylpyrrolidin-3-yl)methyl butanoate is CCCC(=O)OCC1CCN(C)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)methyl butanoate?
The InChIKey is ZJLBPOYJJQIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-10(12)13-8-9-5-6-11(2)7-9/h9H,3-8H2,1-2H3.
What are the key properties of (1-methylpyrrolidin-3-yl)methyl butanoate?
(1-methylpyrrolidin-3-yl)methyl butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 4 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 butanoate is sourced from PubChem (CID 70330566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).