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Chemical ID: 4954027
Chemical ID:
4954027
Name [?]:
3-pyrrolidin-1-yl-1-(2-thienyl)propan-1-one
SMILES [?]:
c1cc(sc1)C(=O)CCN2CCCC2
InChi [?]:
InChI=1/C11H15NOS/c13-10(11-4-3-9-14-11)5-8-12-6-1-2-7-12/h3-4,9H,1-2,5-8H2
InChi Info:
AuxInfo=1/0/N:12,13,1,2,8,11,14,9,5,6,3,10,7,4/E:(1,2)(6,7)/rA:14nCCCSCCOCCNCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06565 |
Area: | 392.883 |
Solvation: | -1.75643 |
Coulombic: | -13.8417 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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