1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane

C11H15N — CID 143290503

IUPAC1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane
SMILESC1=CC(C23CNCC2C3)=CCC1
InChIInChI=1S/C11H15N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h2,4-5,10,12H,1,3,6-8H2
InChIKeyGJGKQMSGXHNMOX-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.87
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane

1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 143290503) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane
PubChem CID143290503
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane
SMILESC1=CC(C23CNCC2C3)=CCC1
InChIInChI=1S/C11H15N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h2,4-5,10,12H,1,3,6-8H2
InChIKeyGJGKQMSGXHNMOX-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2Z,4E)-4-(difluoromethyl)hepta-2,4,6-trienyl]-3-azabicyclo[3.1.0]hexane
CID 88999694
(1S,5R)-1-[(3Z,5Z)-5-chloro-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3-azabicyclo[3.1.0]hexane
CID 135292670
(1S,5R)-1-(5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-yl)-3-azabicyclo[3.1.0]hexane
CID 137539808
1-(3-Chloro-4-fluorocyclohepta-1,3,6-trien-1-yl)-3-azabicyclo[3.1.0]hexane
CID 143400600
(5S)-1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 152859981
1-[4-(1,1-Difluoroethyl)cyclohexa-1,3-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 162552408
1-[2-Fluoro-7-(trifluoromethyl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]-3-azabicyclo[3.1.0]hexane
CID 163596020
(1R,5R)-1-[(1S)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 163987139
2,3,3a,5a,9a,9b-hexahydro-1H-benzo[e]isoindole
CID 22007691
2,3,4,11-tetrahydro-1H-benzo[i]isoquinoline
CID 53727396
(3S)-3-cyclohexa-1,3-dien-1-ylpyrrolidine
CID 66807240
4-Cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine
CID 67378559

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane (CID 143290503) is 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane is C1=CC(C23CNCC2C3)=CCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GJGKQMSGXHNMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h2,4-5,10,12H,1,3,6-8H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane?
1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 161.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143290503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).