1-(2-methoxypyrrolidin-1-yl)octan-1-one

C13H25NO2 — CID 10775689

IUPAC1-(2-methoxypyrrolidin-1-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CCCC1OC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-9-12(15)14-11-8-10-13(14)16-2/h13H,3-11H2,1-2H3
InChIKeyGDUICBIBEYJNSF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.94
Rot. Bonds7

About 1-(2-methoxypyrrolidin-1-yl)octan-1-one

1-(2-methoxypyrrolidin-1-yl)octan-1-one (PubChem CID 10775689) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-methoxypyrrolidin-1-yl)octan-1-one.

Molecular Properties

Compound Name1-(2-methoxypyrrolidin-1-yl)octan-1-one
PubChem CID10775689
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(2-methoxypyrrolidin-1-yl)octan-1-one
SMILESCCCCCCCC(=O)N1CCCC1OC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-9-12(15)14-11-8-10-13(14)16-2/h13H,3-11H2,1-2H3
InChIKeyGDUICBIBEYJNSF-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrrolidinone, 1-(1-oxodecyl)-
CID 11021000
1-Pyrrolidin-1-ylnonan-1-one
CID 246838
N-(Decanoyl)pyrrolidine
CID 3512002
Caprylyl pyrrolidone
CID 10560451
1-(Pyrrolidin-1-yl)dodecan-1-one
CID 246839
N-octanoylpyrrolidine
CID 246836
1-Pyrrolidin-1-ylheptan-1-one
CID 4387140
Undecanoic acid, pyrrolidide
CID 3295963
1-(Pyrrolidin-1-yl)undecane-1,10-dione
CID 15311432
12-Methoxy-1-methyl-azacyclododecan-2-one
CID 134988159
CID 135081778
CID 135081778
Methyl 9-oxo-9-(pyrrolidin-1-yl)nonanoate
CID 135391102

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrrolidin-1-yl)octan-1-one?
The IUPAC name of 1-(2-methoxypyrrolidin-1-yl)octan-1-one (CID 10775689) is 1-(2-methoxypyrrolidin-1-yl)octan-1-one.
What is the SMILES notation for 1-(2-methoxypyrrolidin-1-yl)octan-1-one?
The canonical SMILES for 1-(2-methoxypyrrolidin-1-yl)octan-1-one is CCCCCCCC(=O)N1CCCC1OC.
What is the InChIKey of 1-(2-methoxypyrrolidin-1-yl)octan-1-one?
The InChIKey is GDUICBIBEYJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-6-7-9-12(15)14-11-8-10-13(14)16-2/h13H,3-11H2,1-2H3.
What are the key properties of 1-(2-methoxypyrrolidin-1-yl)octan-1-one?
1-(2-methoxypyrrolidin-1-yl)octan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrrolidin-1-yl)octan-1-one is sourced from PubChem (CID 10775689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).