9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate

C27H23NO4Se — CID 140685279

IUPAC9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate
SMILESO=Cc1ccccc1[Se]C(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23NO4Se/c29-16-18-8-1-6-14-25(18)33-26(30)24-13-7-15-28(24)27(31)32-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h1-6,8-12,14,16,23-24H,7,13,15,17H2/t24-/m1/s1
InChIKeyJFNMDEZBNLVCFW-XMMPIXPASA-N
MW504.44 g/mol
LogP3.77
Rot. Bonds6

About 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate (PubChem CID 140685279) has the molecular formula C27H23NO4Se and a molecular weight of 504.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate
PubChem CID140685279
Molecular FormulaC27H23NO4Se
Molecular Weight504.44 g/mol
Exact Mass505.08
IUPAC Name9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate
SMILESO=Cc1ccccc1[Se]C(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23NO4Se/c29-16-18-8-1-6-14-25(18)33-26(30)24-13-7-15-28(24)27(31)32-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h1-6,8-12,14,16,23-24H,7,13,15,17H2/t24-/m1/s1
InChIKeyJFNMDEZBNLVCFW-XMMPIXPASA-N
XLogP3.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
9H-fluoren-9-ylmethyl (2S)-2-(2-formyl-4-nitrophenyl)sulfanylcarbonylpyrrolidine-1-carboxylate
CID 101237843
Se-(2-formylphenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropaneselenoate
CID 140685282
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
4-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxymethyl]benzoic acid
CID 10254180
9H-fluoren-9-ylmethyl (2S)-2-[[2-(methylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59454334
9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride
CID 174709081
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxy-3-phenylpropanoic acid
CID 174237370
ethane;2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 90762068

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate (CID 140685279) is 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate is O=Cc1ccccc1[Se]C(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate?
The InChIKey is JFNMDEZBNLVCFW-XMMPIXPASA-N. The full InChI is InChI=1S/C27H23NO4Se/c29-16-18-8-1-6-14-25(18)33-26(30)24-13-7-15-28(24)27(31)32-17-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h1-6,8-12,14,16,23-24H,7,13,15,17H2/t24-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate has a molecular weight of 504.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate is sourced from PubChem (CID 140685279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).