(1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid

C13H19F3N2O3 — CID 175855289

IUPAC(1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)C1[C@H]2CNC[C@@H]12)C1(C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2O.C2HF3O2/c1-11(3-4-11)13(2)10(14)9-7-5-12-6-8(7)9;3-2(4,5)1(6)7/h7-9,12H,3-6H2,1-2H3;(H,6,7)/t7-,8+,9?;
InChIKeyFZHFJJYLBXJOSU-VMNZFRLGSA-N
MW308.30 g/mol
LogP1.10
Rot. Bonds2

About (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid

(1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175855289) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175855289
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name(1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)C1[C@H]2CNC[C@@H]12)C1(C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2O.C2HF3O2/c1-11(3-4-11)13(2)10(14)9-7-5-12-6-8(7)9;3-2(4,5)1(6)7/h7-9,12H,3-6H2,1-2H3;(H,6,7)/t7-,8+,9?;
InChIKeyFZHFJJYLBXJOSU-VMNZFRLGSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid (CID 175855289) is (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid is CN(C(=O)C1[C@H]2CNC[C@@H]12)C1(C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FZHFJJYLBXJOSU-VMNZFRLGSA-N. The full InChI is InChI=1S/C11H18N2O.C2HF3O2/c1-11(3-4-11)13(2)10(14)9-7-5-12-6-8(7)9;3-2(4,5)1(6)7/h7-9,12H,3-6H2,1-2H3;(H,6,7)/t7-,8+,9?;.
What are the key properties of (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid?
(1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 308.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-methyl-N-(1-methylcyclopropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175855289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).