Chemical ID: 4744767

Cc1c(noc1n2cccc2)C
Chemical ID:
4744767
Name [?]:
3,4-dimethyl-5-pyrrol-1-yl-isoxazole
SMILES [?]:
Cc1c(noc1n2cccc2)C
InChi [?]:
InChI=1/C9H10N2O/c1-7-8(2)10-12-9(7)11-5-3-4-6-11/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,9,10,8,11,2,3,6,4,7,5/E:(3,4)(5,6)/rA:12nCCCNOCNCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;d8;s9;s7d10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.03933
Area:323.793
Solvation:-2.0555
Coulombic:-9.83366
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.189
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.19
LogP (Chemaxon):1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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