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

C27H25N — CID 171968591

IUPAC8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(C2c3ccccc3-c3ccccc32)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C27H25N/c1-2-8-19(9-3-1)18-28-21-14-15-22(28)17-20(16-21)27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-13,16,21-22,27H,14-15,17-18H2
InChIKeyWZDKHKBHKWIJIX-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.16
Rot. Bonds3

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

8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171968591) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171968591
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(C2c3ccccc3-c3ccccc32)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C27H25N/c1-2-8-19(9-3-1)18-28-21-14-15-22(28)17-20(16-21)27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-13,16,21-22,27H,14-15,17-18H2
InChIKeyWZDKHKBHKWIJIX-UHFFFAOYSA-N
XLogP6.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171968591) is 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene is C1=C(C2c3ccccc3-c3ccccc32)CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is WZDKHKBHKWIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-2-8-19(9-3-1)18-28-21-14-15-22(28)17-20(16-21)27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-13,16,21-22,27H,14-15,17-18H2.
What are the key properties of 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 363.50 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171968591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).