3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C15H25NO2 — CID 23289984

IUPAC3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCCCCCCCCCN1C(=O)C2CC2C1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-16-14(17)12-11-13(12)15(16)18/h12-13H,2-11H2,1H3
InChIKeyLXEBMALMLHILMX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.13
Rot. Bonds9

About 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 23289984) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID23289984
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCCCCCCCCCN1C(=O)C2CC2C1=O
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-16-14(17)12-11-13(12)15(16)18/h12-13H,2-11H2,1H3
InChIKeyLXEBMALMLHILMX-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(6-Fluorohex-1-yl)-3-azabicyclo[3.1 .0]hexane-2,4-dione
CID 23289981
3-(7,7-Difluoroheptyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 23289983
3-Methyl-1-octylpyrrolidine-2,5-dione
CID 512842
3-Methyl-1-nonylpyrrolidine-2,5-dione
CID 512843
3-Ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
3-(3-Fluorobutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 127013201
3-(3-Fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 131036106
3-Octyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 3796377
3-Butyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 13758766
N, 3-dimethylcyclopropane-1,2-dicarboximide
CID 20468377
3-Methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 23270395
3-n-Heptyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 23289980

Frequently Asked Questions

What is the IUPAC name of 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 23289984) is 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CCCCCCCCCCN1C(=O)C2CC2C1=O.
What is the InChIKey of 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is LXEBMALMLHILMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-6-7-8-9-10-16-14(17)12-11-13(12)15(16)18/h12-13H,2-11H2,1H3.
What are the key properties of 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 251.37 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 23289984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).