3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one

C15H21NO — CID 110871522

IUPAC3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(2)11-15(17)16-10-6-9-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeySEUAQEYZGNKMLH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.40
Rot. Bonds3

About 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one

3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one (PubChem CID 110871522) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
PubChem CID110871522
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(2)11-15(17)16-10-6-9-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeySEUAQEYZGNKMLH-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
1-[(2S)-2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 11937630
3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119721633
N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46635876
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
5-amino-2-methyl-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 104683709
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
CID 51319062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one (CID 110871522) is 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one is CC(C)CC(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one?
The InChIKey is SEUAQEYZGNKMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)11-15(17)16-10-6-9-14(16)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3.
What are the key properties of 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one?
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 110871522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).