7-pyrrolidin-1-yloxocan-2-one

C11H19NO2 — CID 89421958

IUPAC7-pyrrolidin-1-yloxocan-2-one
SMILESO=C1CCCCC(N2CCCC2)CO1
InChIInChI=1S/C11H19NO2/c13-11-6-2-1-5-10(9-14-11)12-7-3-4-8-12/h10H,1-9H2
InChIKeyFYCMCHRMUSOTRN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.57
Rot. Bonds1

About 7-pyrrolidin-1-yloxocan-2-one

7-pyrrolidin-1-yloxocan-2-one (PubChem CID 89421958) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-pyrrolidin-1-yloxocan-2-one.

Molecular Properties

Compound Name7-pyrrolidin-1-yloxocan-2-one
PubChem CID89421958
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-pyrrolidin-1-yloxocan-2-one
SMILESO=C1CCCCC(N2CCCC2)CO1
InChIInChI=1S/C11H19NO2/c13-11-6-2-1-5-10(9-14-11)12-7-3-4-8-12/h10H,1-9H2
InChIKeyFYCMCHRMUSOTRN-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yloxocan-2-one?
The IUPAC name of 7-pyrrolidin-1-yloxocan-2-one (CID 89421958) is 7-pyrrolidin-1-yloxocan-2-one.
What is the SMILES notation for 7-pyrrolidin-1-yloxocan-2-one?
The canonical SMILES for 7-pyrrolidin-1-yloxocan-2-one is O=C1CCCCC(N2CCCC2)CO1.
What is the InChIKey of 7-pyrrolidin-1-yloxocan-2-one?
The InChIKey is FYCMCHRMUSOTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-6-2-1-5-10(9-14-11)12-7-3-4-8-12/h10H,1-9H2.
What are the key properties of 7-pyrrolidin-1-yloxocan-2-one?
7-pyrrolidin-1-yloxocan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yloxocan-2-one is sourced from PubChem (CID 89421958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).