(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

C16H23NO — CID 76963739

IUPAC(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ccc(C(=O)[C@H](C)CN2CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-3-14-6-8-15(9-7-14)16(18)13(2)12-17-10-4-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3/t13-/m1/s1
InChIKeyVNFAARJCGSAROU-CYBMUJFWSA-N
MW245.37 g/mol
LogP3.16
Rot. Bonds5

About (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 76963739) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID76963739
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ccc(C(=O)[C@H](C)CN2CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-3-14-6-8-15(9-7-14)16(18)13(2)12-17-10-4-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3/t13-/m1/s1
InChIKeyVNFAARJCGSAROU-CYBMUJFWSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-but-2-enedioic acid;1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 67426641
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 43228442
(Z)-but-2-enedioic acid;(2S)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 56960042
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 10825696
1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952373
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 82090555
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (CID 76963739) is (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is CCc1ccc(C(=O)[C@H](C)CN2CCCC2)cc1.
What is the InChIKey of (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is VNFAARJCGSAROU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-14-6-8-15(9-7-14)16(18)13(2)12-17-10-4-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 76963739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).