ethyl 2-pyrrolidin-1-ylpropanoate

C9H17NO2 — CID 13388942

IUPACethyl 2-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(C)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyMHGPWEICKXUJLS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds3

About ethyl 2-pyrrolidin-1-ylpropanoate

ethyl 2-pyrrolidin-1-ylpropanoate (PubChem CID 13388942) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-pyrrolidin-1-ylpropanoate
PubChem CID13388942
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(C)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3
InChIKeyMHGPWEICKXUJLS-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyrrolidin-1-ylpropanoate?
The IUPAC name of ethyl 2-pyrrolidin-1-ylpropanoate (CID 13388942) is ethyl 2-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-pyrrolidin-1-ylpropanoate?
The canonical SMILES for ethyl 2-pyrrolidin-1-ylpropanoate is CCOC(=O)C(C)N1CCCC1.
What is the InChIKey of ethyl 2-pyrrolidin-1-ylpropanoate?
The InChIKey is MHGPWEICKXUJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9(11)8(2)10-6-4-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-pyrrolidin-1-ylpropanoate?
ethyl 2-pyrrolidin-1-ylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 13388942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).