Chemical ID: 5232380

CN1C=CC2C(CC2C1=O)C#N
Chemical ID:
5232380
Name [?]:
4-methyl-5-oxo-4-azabicyclo[4.2.0]oct-2-ene-8-carbonitrile
SMILES [?]:
CN1C=CC2C(CC2C1=O)C#N
InChi [?]:
InChI=1/C9H10N2O/c1-11-3-2-7-6(5-10)4-8(7)9(11)12/h2-3,6-8H,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,7,11,6,5,8,9,12,2,10/rA:12cCNCCCCCCCOCN/rB:s1;s2;d3;s4;s5;s6;s5s7;s2s8;d9;s6;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:3
ZAP Information [?]
Total:5.7981
Area:326.065
Solvation:-2.35352
Coulombic:-17.0407
Bond Count [?]
All:13
Single:10
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:162.189
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.52
LogP (Chemaxon):0.19

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Descriptor Annotations

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