3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene

C22H23N — CID 171972376

IUPAC3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CCC2
InChIInChI=1S/C22H23N/c1-23-19-6-4-7-20(23)14-17(13-19)15-9-10-22-18(11-15)12-16-5-2-3-8-21(16)22/h2-3,5,8-11,13,19-20H,4,6-7,12,14H2,1H3
InChIKeyXIMNXOAIEAQYMK-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.90
Rot. Bonds1

About 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene

3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171972376) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171972376
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCN1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CCC2
InChIInChI=1S/C22H23N/c1-23-19-6-4-7-20(23)14-17(13-19)15-9-10-22-18(11-15)12-16-5-2-3-8-21(16)22/h2-3,5,8-11,13,19-20H,4,6-7,12,14H2,1H3
InChIKeyXIMNXOAIEAQYMK-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.90
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)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene (CID 171972376) is 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene is CN1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CCC2.
What is the InChIKey of 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is XIMNXOAIEAQYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-23-19-6-4-7-20(23)14-17(13-19)15-9-10-22-18(11-15)12-16-5-2-3-8-21(16)22/h2-3,5,8-11,13,19-20H,4,6-7,12,14H2,1H3.
What are the key properties of 3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 301.43 g/mol, XLogP of 4.90, 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)-9-methyl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171972376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).