8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene

C20H21N — CID 21220480

IUPAC8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2CCC1C(c1ccccc1)=C(c1ccccc1)C2
InChIInChI=1S/C20H21N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3
InChIKeyMQNDOATZDZDAHT-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.46
Rot. Bonds2

About 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene

8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 21220480) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID21220480
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2CCC1C(c1ccccc1)=C(c1ccccc1)C2
InChIInChI=1S/C20H21N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3
InChIKeyMQNDOATZDZDAHT-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 20006

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene (CID 21220480) is 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2CCC1C(c1ccccc1)=C(c1ccccc1)C2.
What is the InChIKey of 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is MQNDOATZDZDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-21-17-12-13-19(21)20(16-10-6-3-7-11-16)18(14-17)15-8-4-2-5-9-15/h2-11,17,19H,12-14H2,1H3.
What are the key properties of 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene?
8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 275.40 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3-diphenyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 21220480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).