(9R)-9-pyrrolidin-1-yloxonan-2-one

C12H21NO2 — CID 71282375

IUPAC(9R)-9-pyrrolidin-1-yloxonan-2-one
SMILESO=C1CCCCCC[C@H](N2CCCC2)O1
InChIInChI=1S/C12H21NO2/c14-12-8-4-2-1-3-7-11(15-12)13-9-5-6-10-13/h11H,1-10H2/t11-/m1/s1
InChIKeyPEWKETBROOSNRL-LLVKDONJSA-N
MW211.30 g/mol
LogP2.31
Rot. Bonds1

About (9R)-9-pyrrolidin-1-yloxonan-2-one

(9R)-9-pyrrolidin-1-yloxonan-2-one (PubChem CID 71282375) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (9R)-9-pyrrolidin-1-yloxonan-2-one.

Molecular Properties

Compound Name(9R)-9-pyrrolidin-1-yloxonan-2-one
PubChem CID71282375
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(9R)-9-pyrrolidin-1-yloxonan-2-one
SMILESO=C1CCCCCC[C@H](N2CCCC2)O1
InChIInChI=1S/C12H21NO2/c14-12-8-4-2-1-3-7-11(15-12)13-9-5-6-10-13/h11H,1-10H2/t11-/m1/s1
InChIKeyPEWKETBROOSNRL-LLVKDONJSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 7-(diethylamino)heptanoate
CID 58258232
2-Pyrrolidin-1-ylethyl octanoate
CID 20324390
1-Pyrrolidin-1-ylethyl 9-oxononanoate
CID 54343070
Ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate
CID 66591539
7-Pyrrolidin-1-yloxonan-2-one
CID 71282361
(3R)-3-pyrrolidin-1-yloxonan-2-one
CID 71282409
7-Pyrrolidin-1-yloxecan-2-one
CID 71282474
10-Pyrrolidin-1-yloxecan-2-one
CID 71282552
(7R)-7-pyrrolidin-1-yloxonan-2-one
CID 71282553
Hexyl-dimethyl-(1-tetradecanoyloxypropyl)azanium
CID 87632185
Dimethyl-pentyl-(1-tetradecanoyloxypropyl)azanium
CID 87633464
8-Pyrrolidin-1-yloxocan-2-one
CID 89421945

Frequently Asked Questions

What is the IUPAC name of (9R)-9-pyrrolidin-1-yloxonan-2-one?
The IUPAC name of (9R)-9-pyrrolidin-1-yloxonan-2-one (CID 71282375) is (9R)-9-pyrrolidin-1-yloxonan-2-one.
What is the SMILES notation for (9R)-9-pyrrolidin-1-yloxonan-2-one?
The canonical SMILES for (9R)-9-pyrrolidin-1-yloxonan-2-one is O=C1CCCCCC[C@H](N2CCCC2)O1.
What is the InChIKey of (9R)-9-pyrrolidin-1-yloxonan-2-one?
The InChIKey is PEWKETBROOSNRL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12-8-4-2-1-3-7-11(15-12)13-9-5-6-10-13/h11H,1-10H2/t11-/m1/s1.
What are the key properties of (9R)-9-pyrrolidin-1-yloxonan-2-one?
(9R)-9-pyrrolidin-1-yloxonan-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-pyrrolidin-1-yloxonan-2-one is sourced from PubChem (CID 71282375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).