Chemical ID: 6178267

c1ccc(cc1)C(=O)CN=C2CCCN2
Chemical ID:
6178267
Name [?]:
1-phenyl-2-pyrrolidin-2-ylideneamino-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)CN=C2CCCN2
InChi [?]:
InChI=1/C12H14N2O/c15-11(10-5-2-1-3-6-10)9-14-12-7-4-8-13-12/h1-3,5-6H,4,7-9H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,12,14,9,4,7,11,15,10,8/E:(2,3)(5,6)/rA:15nCCCCCCCOCNCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;w10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.19984
Area:393.276
Solvation:-3.63207
Coulombic:-24.2496
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:202.252
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.14
LogP (Chemaxon):1.17

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Descriptor Annotations

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