pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone

C9H16N2O — CID 20598954

IUPACpyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1)[C@H]1CCCN1
InChIInChI=1S/C9H16N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h7-8,10-11H,1-6H2/t7-,8?/m1/s1
InChIKeyJGPZZSYBKMBVKX-GVHYBUMESA-N
MW168.24 g/mol
LogP0.06
Rot. Bonds2

About pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone

pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 20598954) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID20598954
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namepyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1)[C@H]1CCCN1
InChIInChI=1S/C9H16N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h7-8,10-11H,1-6H2/t7-,8?/m1/s1
InChIKeyJGPZZSYBKMBVKX-GVHYBUMESA-N
XLogP0.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(2S)-piperidin-2-yl]methanone
CID 174971247
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
lithium (2S)-pyrrolidine-2-carboxylate
CID 23691818

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone (CID 20598954) is pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone is O=C(C1CCCN1)[C@H]1CCCN1.
What is the InChIKey of pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is JGPZZSYBKMBVKX-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(7-3-1-5-10-7)8-4-2-6-11-8/h7-8,10-11H,1-6H2/t7-,8?/m1/s1.
What are the key properties of pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone?
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 168.24 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 20598954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).