1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

C15H21NO2 — CID 79055855

IUPAC1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccccc1C(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H21NO2/c1-15(2,16-10-6-7-11-16)14(17)12-8-4-5-9-13(12)18-3/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeySFCYHKYVGAMGFC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 79055855) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
PubChem CID79055855
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccccc1C(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H21NO2/c1-15(2,16-10-6-7-11-16)14(17)12-8-4-5-9-13(12)18-3/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeySFCYHKYVGAMGFC-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599250
CID 175241707
CID 175241707
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2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one
CID 81220801
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
2,2-dibromo-3-(2-methoxyphenyl)-3-oxopropanenitrile
CID 23039923
2-ethyl-2-methoxy-1-(2-methoxyphenyl)butan-1-one
CID 116747491
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
1-(2-methoxy-5-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056851
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
1-[tris(2-methoxyphenyl)methyl]piperidine
CID 67427832
(2R)-2-hydroxy-1-(2-methoxyphenyl)-2-methylhexane-1,5-dione
CID 101235095

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (CID 79055855) is 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is COc1ccccc1C(=O)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SFCYHKYVGAMGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,16-10-6-7-11-16)14(17)12-8-4-5-9-13(12)18-3/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79055855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).