Chemical ID: 4189136

CCOC(=O)C1CN1Cc2cccnc2
Chemical ID:
4189136
Name [?]:
ethyl 1-(3-pyridylmethyl)aziridine-2-carboxylate
SMILES [?]:
CCOC(=O)C1CN1Cc2cccnc2
InChi [?]:
InChI=1/C11H14N2O2/c1-2-15-11(14)10-8-13(10)7-9-4-3-5-12-6-9/h3-6,10H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,15,9,7,10,6,4,14,8,5,3/rA:15cCCOCOCCNCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.13987
Area:395.802
Solvation:-2.75518
Coulombic:-28.7912
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.241
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.54
LogP (Chemaxon):0.55

Name Annotations

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Descriptor Annotations

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