N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H15FN2O — CID 123654014

IUPACN-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC=C(F)C(=CC)NC(=O)C1CC2CC2N1
InChIInChI=1S/C11H15FN2O/c1-3-8(6(2)12)14-11(15)10-5-7-4-9(7)13-10/h3,7,9-10,13H,2,4-5H2,1H3,(H,14,15)
InChIKeyWQNPVYITOPCDAO-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.24
Rot. Bonds3

About N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 123654014) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID123654014
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC=C(F)C(=CC)NC(=O)C1CC2CC2N1
InChIInChI=1S/C11H15FN2O/c1-3-8(6(2)12)14-11(15)10-5-7-4-9(7)13-10/h3,7,9-10,13H,2,4-5H2,1H3,(H,14,15)
InChIKeyWQNPVYITOPCDAO-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S,5R)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020531
N-(2,4,4,4-tetrafluorobut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123708450
N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123943746
(1R,3S)-N-(2-fluoro-3-methylbut-2-enyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130256950
(1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175857446
N-but-2-en-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123262766
N-penta-1,3-dien-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123715320

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 123654014) is N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is C=C(F)C(=CC)NC(=O)C1CC2CC2N1.
What is the InChIKey of N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is WQNPVYITOPCDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-8(6(2)12)14-11(15)10-5-7-4-9(7)13-10/h3,7,9-10,13H,2,4-5H2,1H3,(H,14,15).
What are the key properties of N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 210.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 123654014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).