(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one

C12H23NO — CID 58185317

IUPAC(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C12H23NO/c1-5-9(2)11(4)12(14)13-8-6-7-10(13)3/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyBFPAXOVANFKQAL-AXFHLTTASA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds3

About (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one

(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one (PubChem CID 58185317) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
PubChem CID58185317
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
SMILESCC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1C
InChIInChI=1S/C12H23NO/c1-5-9(2)11(4)12(14)13-8-6-7-10(13)3/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyBFPAXOVANFKQAL-AXFHLTTASA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-1-(2,3-dimethylpentanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116802
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid
CID 122099884
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one?
The IUPAC name of (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one (CID 58185317) is (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one is CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one?
The InChIKey is BFPAXOVANFKQAL-AXFHLTTASA-N. The full InChI is InChI=1S/C12H23NO/c1-5-9(2)11(4)12(14)13-8-6-7-10(13)3/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one?
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 58185317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).