3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C21H21N — CID 11644931

IUPAC3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CC2
InChIInChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3
InChIKeyWCMJUQVXFGLIRF-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.51
Rot. Bonds1

About 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 11644931) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID11644931
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CC2
InChIInChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3
InChIKeyWCMJUQVXFGLIRF-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 11644931) is 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CC2.
What is the InChIKey of 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is WCMJUQVXFGLIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3.
What are the key properties of 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 287.41 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 11644931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).