Chemical ID: 5144658

CN1CCC(C1=O)c2ccccc2
Chemical ID:
5144658
Name [?]:
1-methyl-3-phenyl-pyrrolidin-2-one
SMILES [?]:
CN1CCC(C1=O)c2ccccc2
InChi [?]:
InChI=1/C11H13NO/c1-12-8-7-10(11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,4,3,8,5,6,2,7/E:(3,4)(5,6)/rA:13cCNCCCCOCCCCCC/rB:s1;s2;s3;s4;s2s5;d6;s5;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.48998
Area:343.22
Solvation:-2.09052
Coulombic:-17.2388
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:175.227
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.32
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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