1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one

C15H21NO — CID 176931580

IUPAC1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1cc(C)cc(C)c1
InChIInChI=1S/C15H21NO/c1-4-15(17)16-7-5-6-14(16)13-9-11(2)8-12(3)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyBRWGVDGFEYMBNR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.38
Rot. Bonds2

About 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one

1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 176931580) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID176931580
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1cc(C)cc(C)c1
InChIInChI=1S/C15H21NO/c1-4-15(17)16-7-5-6-14(16)13-9-11(2)8-12(3)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyBRWGVDGFEYMBNR-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 86951408
tert-butyl N-[2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 86951366
3-(3,4-difluorophenyl)-1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 86951491
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 86951341
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
3,5-dimethyl-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264652
2H-benzotriazol-5-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 102557213
1-[2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110256042
1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95821548
3,4-dihydro-2H-chromen-4-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 86951232
(E)-N-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-2-phenylethenesulfonamide
CID 86952499

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one (CID 176931580) is 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1c1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BRWGVDGFEYMBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-15(17)16-7-5-6-14(16)13-9-11(2)8-12(3)10-13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one?
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 176931580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).