[1-(2-methylpropyl)pyrrolidin-3-yl] acetate

C10H19NO2 — CID 20672252

IUPAC[1-(2-methylpropyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CCN(CC(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8(2)6-11-5-4-10(7-11)13-9(3)12/h8,10H,4-7H2,1-3H3
InChIKeyYZDGNGCUTIQBEC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About [1-(2-methylpropyl)pyrrolidin-3-yl] acetate

[1-(2-methylpropyl)pyrrolidin-3-yl] acetate (PubChem CID 20672252) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [1-(2-methylpropyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[1-(2-methylpropyl)pyrrolidin-3-yl] acetate
PubChem CID20672252
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[1-(2-methylpropyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CCN(CC(C)C)C1
InChIInChI=1S/C10H19NO2/c1-8(2)6-11-5-4-10(7-11)13-9(3)12/h8,10H,4-7H2,1-3H3
InChIKeyYZDGNGCUTIQBEC-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-(2-methylpropyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [1-(2-methylpropyl)pyrrolidin-3-yl] acetate (CID 20672252) is [1-(2-methylpropyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [1-(2-methylpropyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [1-(2-methylpropyl)pyrrolidin-3-yl] acetate is CC(=O)OC1CCN(CC(C)C)C1.
What is the InChIKey of [1-(2-methylpropyl)pyrrolidin-3-yl] acetate?
The InChIKey is YZDGNGCUTIQBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)6-11-5-4-10(7-11)13-9(3)12/h8,10H,4-7H2,1-3H3.
What are the key properties of [1-(2-methylpropyl)pyrrolidin-3-yl] acetate?
[1-(2-methylpropyl)pyrrolidin-3-yl] acetate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 20672252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).