Structure

InChI Key QRCJOCOSPZMDJY-UHFFFAOYSA-N
Smile CCC(C)C(CC)C(N)=O
InChI
InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17NO
Molecular Weight 143.23
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 43.09
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Reference
Bipolar Disorder; Psychotic Disorders Phase 3 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 4171-13-5
ChEBI 134767
ChEMBL CHEMBL1075733
DrugBank DB13099
DrugCentral 2802
FDA SRS 3O25NRX9YG
PubChem 20140
SureChEMBL SCHEMBL387435