(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

C11H21NO — CID 142133713

IUPAC(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)[C@H](C)C(=O)N1CCCC1C
InChIInChI=1S/C11H21NO/c1-8(2)10(4)11(13)12-7-5-6-9(12)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyIXNWYKSQCLEQSE-AXDSSHIGSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds2

About (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one

(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 142133713) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
PubChem CID142133713
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)[C@H](C)C(=O)N1CCCC1C
InChIInChI=1S/C11H21NO/c1-8(2)10(4)11(13)12-7-5-6-9(12)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyIXNWYKSQCLEQSE-AXDSSHIGSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
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
2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 170955387
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
1-[2-(2-chloroacetyl)pyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 142234365
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
2-(2,6-dimethyloxan-4-yl)-1-[(2R)-2-methylpyrrolidin-1-yl]propan-1-one
CID 90247373

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one (CID 142133713) is (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is CC(C)[C@H](C)C(=O)N1CCCC1C.
What is the InChIKey of (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is IXNWYKSQCLEQSE-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10(4)11(13)12-7-5-6-9(12)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one?
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 142133713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).