Chemical ID: 5241670

CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
Chemical ID:
5241670
Name [?]:
5-[methyl-[4-[methyl-(5-oxo-3,4-dihydropyrrol-2-yl)-amino]but-2-ynyl]amino]-3,4-dihydropyrrol-2-one
SMILES [?]:
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
InChi [?]:
InChI=1/C14H18N4O2/c1-17(11-5-7-13(19)15-11)9-3-4-10-18(2)12-6-8-14(20)16-12/h5-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,5,20,14,19,13,3,6,15,9,17,11,16,10,2,7,18,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCNCCCCNCCNCOCCCNCOCC/rB:s1;s2;s3;t4;s5;s6;s7;s7;d9;s10;d11;s11;s9s13;s2;d15;s16;d17;s17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N4O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.47835
Area:509.16
Solvation:-5.25065
Coulombic:-38.1527
Bond Count [?]
All:21
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.318
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.02
LogP (Chemaxon):-0.2

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