7-pyrrolidin-1-yloxonan-2-one

C12H21NO2 — CID 71282361

IUPAC7-pyrrolidin-1-yloxonan-2-one
SMILESO=C1CCCCC(N2CCCC2)CCO1
InChIInChI=1S/C12H21NO2/c14-12-6-2-1-5-11(7-10-15-12)13-8-3-4-9-13/h11H,1-10H2
InChIKeySZSMZACGAKHBEE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.96
Rot. Bonds1

About 7-pyrrolidin-1-yloxonan-2-one

7-pyrrolidin-1-yloxonan-2-one (PubChem CID 71282361) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 7-pyrrolidin-1-yloxonan-2-one.

Molecular Properties

Compound Name7-pyrrolidin-1-yloxonan-2-one
PubChem CID71282361
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name7-pyrrolidin-1-yloxonan-2-one
SMILESO=C1CCCCC(N2CCCC2)CCO1
InChIInChI=1S/C12H21NO2/c14-12-6-2-1-5-11(7-10-15-12)13-8-3-4-9-13/h11H,1-10H2
InChIKeySZSMZACGAKHBEE-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yloxonan-2-one?
The IUPAC name of 7-pyrrolidin-1-yloxonan-2-one (CID 71282361) is 7-pyrrolidin-1-yloxonan-2-one.
What is the SMILES notation for 7-pyrrolidin-1-yloxonan-2-one?
The canonical SMILES for 7-pyrrolidin-1-yloxonan-2-one is O=C1CCCCC(N2CCCC2)CCO1.
What is the InChIKey of 7-pyrrolidin-1-yloxonan-2-one?
The InChIKey is SZSMZACGAKHBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12-6-2-1-5-11(7-10-15-12)13-8-3-4-9-13/h11H,1-10H2.
What are the key properties of 7-pyrrolidin-1-yloxonan-2-one?
7-pyrrolidin-1-yloxonan-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yloxonan-2-one is sourced from PubChem (CID 71282361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).