1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one

C13H25NO3 — CID 103179808

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCOCCCOCCN1CCCC1CC(C)=O
InChIInChI=1S/C13H25NO3/c1-12(15)11-13-5-3-6-14(13)7-10-17-9-4-8-16-2/h13H,3-11H2,1-2H3
InChIKeyBPUOQTZOZXGPNY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.48
Rot. Bonds9

About 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one

1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 103179808) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
PubChem CID103179808
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCOCCCOCCN1CCCC1CC(C)=O
InChIInChI=1S/C13H25NO3/c1-12(15)11-13-5-3-6-14(13)7-10-17-9-4-8-16-2/h13H,3-11H2,1-2H3
InChIKeyBPUOQTZOZXGPNY-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2-methoxyethoxy)ethyl]azepan-2-yl]propan-2-one
CID 79560356
1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
CID 103409848
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
CID 79537541
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
N-(2-methoxyethyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546583
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 82892304
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 113427471
2-[1-(2-propoxyethyl)piperidin-2-yl]acetic acid
CID 106454638
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one (CID 103179808) is 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one is COCCCOCCN1CCCC1CC(C)=O.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is BPUOQTZOZXGPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(15)11-13-5-3-6-14(13)7-10-17-9-4-8-16-2/h13H,3-11H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 243.35 g/mol, XLogP of 1.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 103179808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).