2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone

C16H23NO2 — CID 124514038

IUPAC2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-6-8-14(9-7-13)15-5-4-10-17(15)16(18)11-19-3/h6-9,12,15H,4-5,10-11H2,1-3H3/t15-/m1/s1
InChIKeyKXRVOAJXOQQHHN-OAHLLOKOSA-N
MW261.37 g/mol
LogP3.12
Rot. Bonds4

About 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone

2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 124514038) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID124514038
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-6-8-14(9-7-13)15-5-4-10-17(15)16(18)11-19-3/h6-9,12,15H,4-5,10-11H2,1-3H3/t15-/m1/s1
InChIKeyKXRVOAJXOQQHHN-OAHLLOKOSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]acetic acid
CID 61327670
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 46636703
2-(4-propan-2-ylphenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 166251123
2-propan-2-yloxy-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 95234107
3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119721633
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90564162
2-(4-acetylphenoxy)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 25490827
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24513313
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 25499909

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone (CID 124514038) is 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone is COCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KXRVOAJXOQQHHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)13-6-8-14(9-7-13)15-5-4-10-17(15)16(18)11-19-3/h6-9,12,15H,4-5,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone?
2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124514038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).