6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one

C12H13FN2O — CID 115009760

IUPAC6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESNCC1C2CN(c3ccccc3F)C(=O)C12
InChIInChI=1S/C12H13FN2O/c13-9-3-1-2-4-10(9)15-6-8-7(5-14)11(8)12(15)16/h1-4,7-8,11H,5-6,14H2
InChIKeyNASKTAWZJFPYMA-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.99
Rot. Bonds2

About 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one

6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 115009760) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID115009760
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESNCC1C2CN(c3ccccc3F)C(=O)C12
InChIInChI=1S/C12H13FN2O/c13-9-3-1-2-4-10(9)15-6-8-7(5-14)11(8)12(15)16/h1-4,7-8,11H,5-6,14H2
InChIKeyNASKTAWZJFPYMA-UHFFFAOYSA-N
XLogP0.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009765
6-(hydroxymethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 115009727
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
6-(aminomethyl)-3-(2-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115010000
[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677261
6-(aminomethyl)-3-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009992
[2-(2-fluorophenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
CID 105459012
6-(aminomethyl)-3-(2-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009994
[1-(2-fluorophenyl)azepan-3-yl]methanamine
CID 84687805
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793260
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
CID 115067563

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 115009760) is 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one is NCC1C2CN(c3ccccc3F)C(=O)C12.
What is the InChIKey of 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is NASKTAWZJFPYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-3-1-2-4-10(9)15-6-8-7(5-14)11(8)12(15)16/h1-4,7-8,11H,5-6,14H2.
What are the key properties of 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 220.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 115009760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).