2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C16H23NO — CID 106982093

IUPAC2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCc1ccc(CC(=O)C2(C(C)C)CCNC2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)16(8-9-17-11-16)15(18)10-14-6-4-13(3)5-7-14/h4-7,12,17H,8-11H2,1-3H3
InChIKeyFMXWIHVZYZUVOX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds4

About 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 106982093) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID106982093
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCc1ccc(CC(=O)C2(C(C)C)CCNC2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)16(8-9-17-11-16)15(18)10-14-6-4-13(3)5-7-14/h4-7,12,17H,8-11H2,1-3H3
InChIKeyFMXWIHVZYZUVOX-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-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982052
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
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
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982126
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982360
2-(4-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982280
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)but-3-en-1-one
CID 106982318

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 106982093) is 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is Cc1ccc(CC(=O)C2(C(C)C)CCNC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is FMXWIHVZYZUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)16(8-9-17-11-16)15(18)10-14-6-4-13(3)5-7-14/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-(4-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-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 106982093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).