1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one

C16H23NO2 — CID 71874021

IUPAC1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1C(C)CC(c2ccccc2)C1C
InChIInChI=1S/C16H23NO2/c1-12-11-15(14-7-5-4-6-8-14)13(2)17(12)16(18)9-10-19-3/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyKKNGHIDLLVQBBP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds4

About 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one

1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one (PubChem CID 71874021) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one
PubChem CID71874021
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1C(C)CC(c2ccccc2)C1C
InChIInChI=1S/C16H23NO2/c1-12-11-15(14-7-5-4-6-8-14)13(2)17(12)16(18)9-10-19-3/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyKKNGHIDLLVQBBP-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-4-methoxybutan-1-one
CID 124735066
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124
N-[2-[(2R,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylethanesulfonamide
CID 124778191
1-[(2S,3S,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-(2-methylpropylsulfonyl)ethanone
CID 96509134
1-[(2R,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]-2-(2-methylpropylsulfonyl)ethanone
CID 124743823
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120749123
4-[(2,5-dimethyl-3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021925
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
(5-chloropyrimidin-4-yl)-[(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]methanone
CID 97236274
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
(3S,4R)-4-(4-fluorophenyl)-1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 70747428
(3S,4R)-4-(3-methoxyphenyl)-1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 72870647

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one (CID 71874021) is 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one is COCCC(=O)N1C(C)CC(c2ccccc2)C1C.
What is the InChIKey of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is KKNGHIDLLVQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-11-15(14-7-5-4-6-8-14)13(2)17(12)16(18)9-10-19-3/h4-8,12-13,15H,9-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one?
1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 71874021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).