1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one

C15H21NO — CID 62612304

IUPAC1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCCC2C)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-14(8-6-12)15(17)9-11-16-10-3-4-13(16)2/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeySKRZVEJVQDVZBP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one

1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 62612304) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
PubChem CID62612304
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCCC2C)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-14(8-6-12)15(17)9-11-16-10-3-4-13(16)2/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeySKRZVEJVQDVZBP-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 104926801
1-(4-methylphenyl)-4-(1-methylpyrrolidin-2-yl)butane-1,4-dione
CID 76789266
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 82071339
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-oxobutanoate
CID 59651969
(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
CID 22274484
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63635456
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-one
CID 62613737
1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one (CID 62612304) is 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one is Cc1ccc(C(=O)CCN2CCCC2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is SKRZVEJVQDVZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-7-14(8-6-12)15(17)9-11-16-10-3-4-13(16)2/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one?
1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62612304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).