tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate

C26H29NO2 — CID 171967728

IUPACtert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CCC2
InChIInChI=1S/C26H29NO2/c1-26(2,3)29-25(28)27-21-8-6-9-22(27)16-19(15-21)17-11-12-24-20(13-17)14-18-7-4-5-10-23(18)24/h4-5,7,10-13,15,21-22H,6,8-9,14,16H2,1-3H3
InChIKeyGJHMYVUNPSVMDL-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.20
Rot. Bonds1

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

tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate (PubChem CID 171967728) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
PubChem CID171967728
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Nametert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CCC2
InChIInChI=1S/C26H29NO2/c1-26(2,3)29-25(28)27-21-8-6-9-22(27)16-19(15-21)17-11-12-24-20(13-17)14-18-7-4-5-10-23(18)24/h4-5,7,10-13,15,21-22H,6,8-9,14,16H2,1-3H3
InChIKeyGJHMYVUNPSVMDL-UHFFFAOYSA-N
XLogP6.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate with MolForge

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Related Compounds

3-(9H-fluoren-2-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171972376
tert-butyl 3-(3-fluorophenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171972526
tert-butyl 3-(2-phenoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171967884
tert-butyl 3-(3-propan-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171970590
tert-butyl 3-(2-ethenylphenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171972168
tert-butyl 3-(3-nitrophenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171970763
tert-butyl 3-[3-(1,3-dioxolan-2-yl)phenyl]-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171969306
tert-butyl 3-[3-(hydroxymethyl)-4-methoxyphenyl]-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171970313
tert-butyl 3-(2,4-dichlorophenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171972132
tert-butyl 3-(6-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171972695
tert-butyl 3-(2-methyl-1,3-benzoxazol-5-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171969883
tert-butyl 3-(2-methoxy-4-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171970515

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
The IUPAC name of tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate (CID 171967728) is tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate.
What is the SMILES notation for tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
The canonical SMILES for tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate is CC(C)(C)OC(=O)N1C2C=C(c3ccc4c(c3)Cc3ccccc3-4)CC1CCC2.
What is the InChIKey of tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
The InChIKey is GJHMYVUNPSVMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-26(2,3)29-25(28)27-21-8-6-9-22(27)16-19(15-21)17-11-12-24-20(13-17)14-18-7-4-5-10-23(18)24/h4-5,7,10-13,15,21-22H,6,8-9,14,16H2,1-3H3.
What are the key properties of tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(9H-fluoren-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate is sourced from PubChem (CID 171967728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).