9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C31H29NO3 — CID 171960095

IUPAC9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C2CCC1CC(O)(c1cccc3c1CC=C3)C2
InChIInChI=1S/C31H29NO3/c33-30(35-19-28-26-11-3-1-9-24(26)25-10-2-4-12-27(25)28)32-21-15-16-22(32)18-31(34,17-21)29-14-6-8-20-7-5-13-23(20)29/h1-12,14,21-22,28,34H,13,15-19H2
InChIKeyCFFTYMVHMMIUHX-UHFFFAOYSA-N
MW463.58 g/mol
LogP6.02
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171960095) has the molecular formula C31H29NO3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171960095
Molecular FormulaC31H29NO3
Molecular Weight463.58 g/mol
Exact Mass463.21
IUPAC Name9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C2CCC1CC(O)(c1cccc3c1CC=C3)C2
InChIInChI=1S/C31H29NO3/c33-30(35-19-28-26-11-3-1-9-24(26)25-10-2-4-12-27(25)28)32-21-15-16-22(32)18-31(34,17-21)29-14-6-8-20-7-5-13-23(20)29/h1-12,14,21-22,28,34H,13,15-19H2
InChIKeyCFFTYMVHMMIUHX-UHFFFAOYSA-N
XLogP6.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 3-hydroxy-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956454
9H-fluoren-9-ylmethyl 3-hydroxy-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171957461
9H-fluoren-9-ylmethyl 3-(2,3-dimethylphenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958730
9H-fluoren-9-ylmethyl 3-(2,6-dimethoxyphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171955278
9H-fluoren-9-ylmethyl 3-(3H-indene-4-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945923
9H-fluoren-9-ylmethyl 3-(3-cyano-2-fluorophenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171960955
9H-fluoren-9-ylmethyl 3-hydroxy-3-pyrimidin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171951815
9H-fluoren-9-ylmethyl 3-hydroxy-3-[2-(trifluoromethyl)-3-pyridinyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171954488
9H-fluoren-9-ylmethyl 3-[2-(dimethoxymethyl)phenyl]-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171963597
9H-fluoren-9-ylmethyl 3-hydroxy-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956089
9H-fluoren-9-ylmethyl 3-hydroxy-3-(4-phenylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171957485
9H-fluoren-9-ylmethyl 3-(4-ethylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958867

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171960095) is 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1C2CCC1CC(O)(c1cccc3c1CC=C3)C2.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is CFFTYMVHMMIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO3/c33-30(35-19-28-26-11-3-1-9-24(26)25-10-2-4-12-27(25)28)32-21-15-16-22(32)18-31(34,17-21)29-14-6-8-20-7-5-13-23(20)29/h1-12,14,21-22,28,34H,13,15-19H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-hydroxy-3-(3H-inden-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171960095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).