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Chemical ID: 4233762

Chemical ID:

4233762

Name [?]:

2-(4-methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)-ethanone

SMILES [?]:

COc1ccc(cc1)CC(=O)N2CCC(C2)c3ccccc3

InChi [?]:

InChI=1/C19H21NO2/c1-22-18-9-7-15(8-10-18)13-19(21)20-12-11-17(14-20)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,20,19,21,18,22,5,7,4,8,14,13,9,16,6,17,15,3,10,12,11,2/E:(3,4)(5,6)(7,8)(9,10)/rA:22cCOCCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s12s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.91396
Area:	514.834
Solvation:	-3.9569
Coulombic:	-24.8597

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	295.376
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.18
LogP (Chemaxon):	3.0

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value