3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C14H15Cl2N — CID 11956046

IUPAC3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3cccc(Cl)c3Cl)CC1CC2
InChIInChI=1S/C14H15Cl2N/c1-17-10-5-6-11(17)8-9(7-10)12-3-2-4-13(15)14(12)16/h2-4,7,10-11H,5-6,8H2,1H3
InChIKeyWQMDTDZNOKGQGY-UHFFFAOYSA-N
MW268.19 g/mol
LogP4.24
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 11956046) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID11956046
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3cccc(Cl)c3Cl)CC1CC2
InChIInChI=1S/C14H15Cl2N/c1-17-10-5-6-11(17)8-9(7-10)12-3-2-4-13(15)14(12)16/h2-4,7,10-11H,5-6,8H2,1H3
InChIKeyWQMDTDZNOKGQGY-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 11956046) is 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=C(c3cccc(Cl)c3Cl)CC1CC2.
What is the InChIKey of 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is WQMDTDZNOKGQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N/c1-17-10-5-6-11(17)8-9(7-10)12-3-2-4-13(15)14(12)16/h2-4,7,10-11H,5-6,8H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 268.19 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 11956046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).