9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

C23H23NO3 — CID 118275293

IUPAC9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C1CC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1
InChIInChI=1S/C23H23NO3/c25-16-13-23(14-16)9-11-24(12-10-23)22(26)27-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21H,9-15H2
InChIKeyOQQGNXVQXRGPGC-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.38
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 118275293) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID118275293
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C1CC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1
InChIInChI=1S/C23H23NO3/c25-16-13-23(14-16)9-11-24(12-10-23)22(26)27-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21H,9-15H2
InChIKeyOQQGNXVQXRGPGC-UHFFFAOYSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-carbonochloridoyl-4-phenylpiperidine-1-carboxylate
CID 59840495
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
9-[[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 174208682
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate (CID 118275293) is 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate is O=C1CC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is OQQGNXVQXRGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-16-13-23(14-16)9-11-24(12-10-23)22(26)27-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21H,9-15H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate?
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 118275293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).