Chemical ID: 6543038

CCCCN1CCC1C(=O)OC
Chemical ID:
6543038
Name [?]:
methyl 1-butylazetidine-2-carboxylate
SMILES [?]:
CCCCN1CCC1C(=O)OC
InChi [?]:
InChI=1/C9H17NO2/c1-3-4-6-10-7-5-8(10)9(11)12-2/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,7,4,6,8,9,5,10,11/rA:12cCCCCNCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s5s7;s8;d9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:6.85562
Area:355.075
Solvation:-2.02126
Coulombic:-24.527
Bond Count [?]
All:12
Single:11
Double:1
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:171.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.37
LogP (Chemaxon):1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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