1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C9H15FN2O — CID 162459682

IUPAC1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CCCF)N1
InChIInChI=1S/C9H15FN2O/c10-3-1-2-9-5-6(9)4-7(12-9)8(11)13/h6-7,12H,1-5H2,(H2,11,13)
InChIKeyHTRALOCSZORBDS-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.34
Rot. Bonds4

About 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 162459682) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID162459682
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CCCF)N1
InChIInChI=1S/C9H15FN2O/c10-3-1-2-9-5-6(9)4-7(12-9)8(11)13/h6-7,12H,1-5H2,(H2,11,13)
InChIKeyHTRALOCSZORBDS-UHFFFAOYSA-N
XLogP0.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S,5S)-2-Azabicyclo(3.1.0)hexane-3-carboxamide
CID 11506821
2-Azabicyclo(3.1.0)hexane-3-carboxamide, (1S,3S,5S)-
CID 21094662
4,5-Methano-l-proline amide
CID 21338924
(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90019969
1-Fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123996987
(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide
CID 153177317
1-[(4,4-Difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459704
1-[(3-Fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459705
1-[(3,3-Difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459706
1-(2,2-Difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459711
1-(Fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459717
1-(2-Fluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459729

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 162459682) is 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2(CCCF)N1.
What is the InChIKey of 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is HTRALOCSZORBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-3-1-2-9-5-6(9)4-7(12-9)8(11)13/h6-7,12H,1-5H2,(H2,11,13).
What are the key properties of 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 162459682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).