Chemical ID: 3967953

C1CCN(C1)CC#CCN2CCCC2=O
Chemical ID:
3967953
Name [?]:
1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
SMILES [?]:
C1CCN(C1)CC#CCN2CCCC2=O
InChi [?]:
InChI=1/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
InChi Info:
AuxInfo=1/0/N:1,2,7,8,12,13,5,3,6,9,11,14,4,10,15/E:(1,2)(7,8)/rA:15nCCCNCCCCCNCCCCO/rB:s1;s2;s3;s1s4;s4;s6;t7;s8;s9;s10;s11;s12;s10s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.61517
Area:412.048
Solvation:-2.68601
Coulombic:-20.2369
Bond Count [?]
All:16
Single:14
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.284
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.52
LogP (Chemaxon):0.21

Name Annotations

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Descriptor Annotations

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