1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one

C16H23NO — CID 114065844

IUPAC1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCCC2C(C)C)cc1
InChIInChI=1S/C16H23NO/c1-4-16(18)13-7-9-14(10-8-13)17-11-5-6-15(17)12(2)3/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyMZUKPOSSDUMQJA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one

1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one (PubChem CID 114065844) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one
PubChem CID114065844
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCCC2C(C)C)cc1
InChIInChI=1S/C16H23NO/c1-4-16(18)13-7-9-14(10-8-13)17-11-5-6-15(17)12(2)3/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyMZUKPOSSDUMQJA-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanol
CID 79014129
(1R)-1-[5-(2-propan-2-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131400
1-[4-(2,4-dimethylpiperazin-1-yl)phenyl]propan-1-one
CID 114086886
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
ethyl 4-[(2R)-2-hydroxypyrrolidin-1-yl]benzoate
CID 141014623
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
1-[3-nitro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanone
CID 47417225
N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid
CID 174891882
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanone
CID 102726719
1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
CID 114065871

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one (CID 114065844) is 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one is CCC(=O)c1ccc(N2CCCC2C(C)C)cc1.
What is the InChIKey of 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one?
The InChIKey is MZUKPOSSDUMQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-16(18)13-7-9-14(10-8-13)17-11-5-6-15(17)12(2)3/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one?
1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 114065844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).