1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

C16H21NO — CID 10466963

IUPAC1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESC=Cc1ccccc1C(=O)C(C)CN1CCCC1
InChIInChI=1S/C16H21NO/c1-3-14-8-4-5-9-15(14)16(18)13(2)12-17-10-6-7-11-17/h3-5,8-9,13H,1,6-7,10-12H2,2H3
InChIKeyWUKQVZQBODIVNT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 10466963) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID10466963
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESC=Cc1ccccc1C(=O)C(C)CN1CCCC1
InChIInChI=1S/C16H21NO/c1-3-14-8-4-5-9-15(14)16(18)13(2)12-17-10-6-7-11-17/h3-5,8-9,13H,1,6-7,10-12H2,2H3
InChIKeyWUKQVZQBODIVNT-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-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-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-[2-(2-ethenylphenoxy)propyl]pyrrolidine
CID 123514268
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
1-(4-chloro-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 14071351
2-ethenylbenzoic acid;europium
CID 174925184
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
4-methyl-5-pyrrolidin-1-ylpent-1-en-3-one
CID 90939236
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
calcium;2-ethenylbenzoic acid;hydride
CID 174462542
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (CID 10466963) is 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is C=Cc1ccccc1C(=O)C(C)CN1CCCC1.
What is the InChIKey of 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WUKQVZQBODIVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-14-8-4-5-9-15(14)16(18)13(2)12-17-10-6-7-11-17/h3-5,8-9,13H,1,6-7,10-12H2,2H3.
What are the key properties of 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10466963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).