(1-methylpyrrolidin-3-yl) propanoate

C8H15NO2 — CID 45088503

IUPAC(1-methylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-3-8(10)11-7-4-5-9(2)6-7/h7H,3-6H2,1-2H3
InChIKeyYXGFOCDXNTYPPR-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About (1-methylpyrrolidin-3-yl) propanoate

(1-methylpyrrolidin-3-yl) propanoate (PubChem CID 45088503) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) propanoate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) propanoate
PubChem CID45088503
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1-methylpyrrolidin-3-yl) propanoate
SMILESCCC(=O)OC1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-3-8(10)11-7-4-5-9(2)6-7/h7H,3-6H2,1-2H3
InChIKeyYXGFOCDXNTYPPR-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
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) propanoate?
The IUPAC name of (1-methylpyrrolidin-3-yl) propanoate (CID 45088503) is (1-methylpyrrolidin-3-yl) propanoate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) propanoate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) propanoate is CCC(=O)OC1CCN(C)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) propanoate?
The InChIKey is YXGFOCDXNTYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(10)11-7-4-5-9(2)6-7/h7H,3-6H2,1-2H3.
What are the key properties of (1-methylpyrrolidin-3-yl) propanoate?
(1-methylpyrrolidin-3-yl) propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) propanoate is sourced from PubChem (CID 45088503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).