1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid

C12H19F3N2O3 — CID 137362400

IUPAC1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCC1NCC2C(C(N)=O)C12CC.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c1-3-7-10(4-2)6(5-12-7)8(10)9(11)13;3-2(4,5)1(6)7/h6-8,12H,3-5H2,1-2H3,(H2,11,13);(H,6,7)
InChIKeyNZUXPHIJNFQRAU-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.13
Rot. Bonds3

About 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid

1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 137362400) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID137362400
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCC1NCC2C(C(N)=O)C12CC.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c1-3-7-10(4-2)6(5-12-7)8(10)9(11)13;3-2(4,5)1(6)7/h6-8,12H,3-5H2,1-2H3,(H2,11,13);(H,6,7)
InChIKeyNZUXPHIJNFQRAU-UHFFFAOYSA-N
XLogP1.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid (CID 137362400) is 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid is CCC1NCC2C(C(N)=O)C12CC.O=C(O)C(F)(F)F.
What is the InChIKey of 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NZUXPHIJNFQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2HF3O2/c1-3-7-10(4-2)6(5-12-7)8(10)9(11)13;3-2(4,5)1(6)7/h6-8,12H,3-5H2,1-2H3,(H2,11,13);(H,6,7).
What are the key properties of 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 137362400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).