9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C32H29NO3 — CID 171945937

IUPAC9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(C1=Cc2ccccc2C1)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H29NO3/c34-31(22-15-20-7-1-2-8-21(20)16-22)23-17-24-13-14-25(18-23)33(24)32(35)36-19-30-28-11-5-3-9-26(28)27-10-4-6-12-29(27)30/h1-12,15,23-25,30H,13-14,16-19H2
InChIKeyRAXDOEDCIHCFFX-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.39
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171945937) has the molecular formula C32H29NO3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171945937
Molecular FormulaC32H29NO3
Molecular Weight475.59 g/mol
Exact Mass475.21
IUPAC Name9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(C1=Cc2ccccc2C1)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H29NO3/c34-31(22-15-20-7-1-2-8-21(20)16-22)23-17-24-13-14-25(18-23)33(24)32(35)36-19-30-28-11-5-3-9-26(28)27-10-4-6-12-29(27)30/h1-12,15,23-25,30H,13-14,16-19H2
InChIKeyRAXDOEDCIHCFFX-UHFFFAOYSA-N
XLogP6.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(1H-indene-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945947
9H-fluoren-9-ylmethyl 3-but-3-ynoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938954
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278
9H-fluoren-9-ylmethyl 3-(4-methoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944193
9H-fluoren-9-ylmethyl 3-nonanoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945338
9H-fluoren-9-ylmethyl 3-(2-cyanoacetyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938816
9H-fluoren-9-ylmethyl 3-(3-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950869
9H-fluoren-9-ylmethyl 3-(2-methylpyrimidine-5-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950703
9H-fluoren-9-ylmethyl 3-(3-ethoxypropanoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938451
9H-fluoren-9-ylmethyl 3-(4-fluoro-3,5-dimethylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948163
9H-fluoren-9-ylmethyl 3-[3-[2-(2-methoxyethoxy)ethoxy]propanoyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941610
9H-fluoren-9-ylmethyl 3-(1-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937553

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171945937) is 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(C1=Cc2ccccc2C1)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is RAXDOEDCIHCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO3/c34-31(22-15-20-7-1-2-8-21(20)16-22)23-17-24-13-14-25(18-23)33(24)32(35)36-19-30-28-11-5-3-9-26(28)27-10-4-6-12-29(27)30/h1-12,15,23-25,30H,13-14,16-19H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 475.59 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-(1H-indene-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171945937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).