ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7516644

Chemical ID:

7516644

Name [?]:

N-benzyl-2-pyrrolidin-1-yl-acetamide

SMILES [?]:

c1ccc(cc1)CNC(=O)CN2CCCC2

InChi [?]:

InChI=1/C13H18N2O/c16-13(11-15-8-4-5-9-15)14-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,14,16)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,7,11,4,9,8,12,10/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCNCOCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂O
All Atoms:	34
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	8.09325
Area:	417.348
Solvation:	-2.34046
Coulombic:	-27.1742

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.45
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value