(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane

C13H17N — CID 143290490

IUPAC(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane
SMILESCC1=CC=C([C@]23CNCC2C3)C2CC12
InChIInChI=1S/C13H17N/c1-8-2-3-12(11-4-10(8)11)13-5-9(13)6-14-7-13/h2-3,9-11,14H,4-7H2,1H3/t9?,10?,11?,13-/m1/s1
InChIKeyOOYHNHIEGTYIDG-GDDIVIBPSA-N
MW187.29 g/mol
LogP2.12
Rot. Bonds1

About (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane

(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 143290490) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane
PubChem CID143290490
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane
SMILESCC1=CC=C([C@]23CNCC2C3)C2CC12
InChIInChI=1S/C13H17N/c1-8-2-3-12(11-4-10(8)11)13-5-9(13)6-14-7-13/h2-3,9-11,14H,4-7H2,1H3/t9?,10?,11?,13-/m1/s1
InChIKeyOOYHNHIEGTYIDG-GDDIVIBPSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane (CID 143290490) is (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane is CC1=CC=C([C@]23CNCC2C3)C2CC12.
What is the InChIKey of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is OOYHNHIEGTYIDG-GDDIVIBPSA-N. The full InChI is InChI=1S/C13H17N/c1-8-2-3-12(11-4-10(8)11)13-5-9(13)6-14-7-13/h2-3,9-11,14H,4-7H2,1H3/t9?,10?,11?,13-/m1/s1.
What are the key properties of (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane?
(1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 187.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143290490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).