2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C16H23NO — CID 106982052

IUPAC2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCc1cccc(CC(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C16H23NO/c1-12(2)16(7-8-17-11-16)15(18)10-14-6-4-5-13(3)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3
InChIKeyHKNLHVZBZXNWED-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 106982052) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID106982052
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCc1cccc(CC(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C16H23NO/c1-12(2)16(7-8-17-11-16)15(18)10-14-6-4-5-13(3)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3
InChIKeyHKNLHVZBZXNWED-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982093
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832
2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982262
2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
2-(4-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982280
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982360
(3-chlorophenyl)methyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983587
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 106982052) is 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is Cc1cccc(CC(=O)C2(C(C)C)CCNC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is HKNLHVZBZXNWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)16(7-8-17-11-16)15(18)10-14-6-4-5-13(3)9-14/h4-6,9,12,17H,7-8,10-11H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 106982052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).