2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one

C16H22ClNO2 — CID 71133249

IUPAC2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
SMILESCC(C)C(=O)C(CN1CC[C@@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-11(2)16(20)15(10-18-8-7-14(19)9-18)12-3-5-13(17)6-4-12/h3-6,11,14-15,19H,7-10H2,1-2H3/t14-,15?/m1/s1
InChIKeyYTGAIPQWDNZHJD-GICMACPYSA-N
MW295.81 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one

2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one (PubChem CID 71133249) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
PubChem CID71133249
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
SMILESCC(C)C(=O)C(CN1CC[C@@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2/c1-11(2)16(20)15(10-18-8-7-14(19)9-18)12-3-5-13(17)6-4-12/h3-6,11,14-15,19H,7-10H2,1-2H3/t14-,15?/m1/s1
InChIKeyYTGAIPQWDNZHJD-GICMACPYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 59670677
(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
CID 59670872
(2S)-2-(4-chlorophenyl)-4-methyl-1-(3-methylazetidin-1-yl)pentan-3-one
CID 66767073
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458342
1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458138
(2S)-2-(4-chlorophenyl)-4-methyl-1-(1,4-oxazepan-4-yl)pentan-3-one
CID 59670900
2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide
CID 143607109
2,2-bis(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methylpropanamide
CID 67675051
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one
CID 161350586
2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid
CID 70677822

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one?
The IUPAC name of 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one (CID 71133249) is 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one is CC(C)C(=O)C(CN1CC[C@@H](O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one?
The InChIKey is YTGAIPQWDNZHJD-GICMACPYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11(2)16(20)15(10-18-8-7-14(19)9-18)12-3-5-13(17)6-4-12/h3-6,11,14-15,19H,7-10H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one?
2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one has a molecular weight of 295.81 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one is sourced from PubChem (CID 71133249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).