Chemical ID: 6712288

CCOC(=O)C(C#N)C1=CCCN1
Chemical ID:
6712288
Name [?]:
ethyl 2-(4,5-dihydro-1H-pyrrol-2-yl)-3-nitrido-propanoate
SMILES [?]:
CCOC(=O)C(C#N)C1=CCCN1
InChi [?]:
InChI=1/C9H12N2O2/c1-2-13-9(12)7(6-10)8-4-3-5-11-8/h4,7,11H,2-3,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,7,6,9,4,8,13,5,3/rA:13cCCOCOCCNCCCCN/rB:s1;s2;s3;d4;s4;s6;t7;s6;d9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.54921
Area:367.378
Solvation:-2.63524
Coulombic:-32.1456
Bond Count [?]
All:13
Single:10
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:180.204
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.7
LogP (Chemaxon):-0.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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