1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone

C16H23NO2 — CID 116560716

IUPAC1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOC1CNC(C(=O)Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H23NO2/c1-11(2)13-6-4-12(5-7-13)8-16(18)15-9-14(19-3)10-17-15/h4-7,11,14-15,17H,8-10H2,1-3H3
InChIKeyXGUMJUQDIMOWQV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone

1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 116560716) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID116560716
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOC1CNC(C(=O)Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H23NO2/c1-11(2)13-6-4-12(5-7-13)8-16(18)15-9-14(19-3)10-17-15/h4-7,11,14-15,17H,8-10H2,1-3H3
InChIKeyXGUMJUQDIMOWQV-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5R)-5-[2-(4-octylphenyl)acetyl]pyrrolidin-3-yl] dihydrogen phosphate;hydrochloride
CID 145988272
1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-2-(4-octylphenyl)ethanone;hydrochloride
CID 145979798
[(2R,4S)-4-hydroxypyrrolidin-2-yl]-(4-octylphenyl)methanone;hydrochloride
CID 145980771
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-(4-octylphenyl)methanone;hydrochloride
CID 145992805
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate hydrochloride
CID 163226062
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide
CID 11471362
[(3R,5S)-5-[2-(4-octylphenyl)acetyl]pyrrolidin-3-yl] dihydrogen phosphate;hydrochloride
CID 145981491
8-[4-[(2S,3R)-2-(hydroxymethyl)pyrrolidin-3-yl]phenyl]octan-2-one;hydrochloride
CID 145993181
1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-2-(4-octylphenyl)ethanone;hydrochloride
CID 145989131
Methyl 3-phenylpyrrolidine-2-carboxylate hydrochloride
CID 77334315
rac-methyl (2R,4S)-4-phenylpyrrolidine-2-carboxylate hydrochloride
CID 167739361
(2S,3S)-Ethyl 3-phenylpyrrolidine-2-carboxylate
CID 46174220

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone (CID 116560716) is 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone is COC1CNC(C(=O)Cc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is XGUMJUQDIMOWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)13-6-4-12(5-7-13)8-16(18)15-9-14(19-3)10-17-15/h4-7,11,14-15,17H,8-10H2,1-3H3.
What are the key properties of 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 116560716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).