Chemical ID: 6602256

Cc1ccc(n1Cc2ccco2)C
Chemical ID:
6602256
Name [?]:
1-(2-furylmethyl)-2,5-dimethyl-pyrrole
SMILES [?]:
Cc1ccc(n1Cc2ccco2)C
InChi [?]:
InChI=1/C11H13NO/c1-9-5-6-10(2)12(9)8-11-4-3-7-13-11/h3-7H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,9,3,4,11,7,2,5,8,6,12/E:(1,2)(5,6)(9,10)/rA:13nCCCCCNCCCCCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;s8s11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.2563
Area:342.444
Solvation:-2.3048
Coulombic:-11.6865
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:175.227
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.0
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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