2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one

C13H21NO3 — CID 115870238

IUPAC2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCOC(C)C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO3/c1-9(17-2)13(16)14-8-4-6-11(14)10-5-3-7-12(10)15/h9-11H,3-8H2,1-2H3
InChIKeyCLMZMNFEDSNEGV-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.38
Rot. Bonds3

About 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 115870238) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID115870238
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCOC(C)C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO3/c1-9(17-2)13(16)14-8-4-6-11(14)10-5-3-7-12(10)15/h9-11H,3-8H2,1-2H3
InChIKeyCLMZMNFEDSNEGV-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 115870238) is 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one is COC(C)C(=O)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is CLMZMNFEDSNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(17-2)13(16)14-8-4-6-11(14)10-5-3-7-12(10)15/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 239.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 115870238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).