7-pyrrolidin-1-yloxecan-2-one

C13H23NO2 — CID 71282474

IUPAC7-pyrrolidin-1-yloxecan-2-one
SMILESO=C1CCCCC(N2CCCC2)CCCO1
InChIInChI=1S/C13H23NO2/c15-13-8-2-1-6-12(7-5-11-16-13)14-9-3-4-10-14/h12H,1-11H2
InChIKeyAHLOTQOAYPLFIB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.35
Rot. Bonds1

About 7-pyrrolidin-1-yloxecan-2-one

7-pyrrolidin-1-yloxecan-2-one (PubChem CID 71282474) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 7-pyrrolidin-1-yloxecan-2-one.

Molecular Properties

Compound Name7-pyrrolidin-1-yloxecan-2-one
PubChem CID71282474
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name7-pyrrolidin-1-yloxecan-2-one
SMILESO=C1CCCCC(N2CCCC2)CCCO1
InChIInChI=1S/C13H23NO2/c15-13-8-2-1-6-12(7-5-11-16-13)14-9-3-4-10-14/h12H,1-11H2
InChIKeyAHLOTQOAYPLFIB-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yloxecan-2-one?
The IUPAC name of 7-pyrrolidin-1-yloxecan-2-one (CID 71282474) is 7-pyrrolidin-1-yloxecan-2-one.
What is the SMILES notation for 7-pyrrolidin-1-yloxecan-2-one?
The canonical SMILES for 7-pyrrolidin-1-yloxecan-2-one is O=C1CCCCC(N2CCCC2)CCCO1.
What is the InChIKey of 7-pyrrolidin-1-yloxecan-2-one?
The InChIKey is AHLOTQOAYPLFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13-8-2-1-6-12(7-5-11-16-13)14-9-3-4-10-14/h12H,1-11H2.
What are the key properties of 7-pyrrolidin-1-yloxecan-2-one?
7-pyrrolidin-1-yloxecan-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yloxecan-2-one is sourced from PubChem (CID 71282474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).