2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one

C8H15NO — CID 59038032

IUPAC2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyPBQZSVNJVABPPR-SSDOTTSWSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds2

About 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one

2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one (PubChem CID 59038032) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
PubChem CID59038032
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@H]1CCCN1
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyPBQZSVNJVABPPR-SSDOTTSWSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene-1,3-dicarboxylic acid;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one;(2S)-pyrrolidine-2-carboxamide
CID 157368519
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
2-methyl-1-pyrrolidin-2-yloctan-1-one
CID 170267083
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(213C)azolidine-2-carboxylic acid
CID 10290769
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one (CID 59038032) is 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one is CC(C)C(=O)[C@H]1CCCN1.
What is the InChIKey of 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one?
The InChIKey is PBQZSVNJVABPPR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(10)7-4-3-5-9-7/h6-7,9H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one?
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one has a molecular weight of 141.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 59038032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).