methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate

C19H15NO5 — CID 66957986

IUPACmethyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C2c3ccccc3-c3ccccc32)CC(=O)N(O)C1=O
InChIInChI=1S/C19H15NO5/c1-25-18(23)19(10-15(21)20(24)17(19)22)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9,16,24H,10H2,1H3
InChIKeyWTIOHVISQHMAGY-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.11
Rot. Bonds2

About methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate

methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate (PubChem CID 66957986) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate
PubChem CID66957986
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Namemethyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C2c3ccccc3-c3ccccc32)CC(=O)N(O)C1=O
InChIInChI=1S/C19H15NO5/c1-25-18(23)19(10-15(21)20(24)17(19)22)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9,16,24H,10H2,1H3
InChIKeyWTIOHVISQHMAGY-UHFFFAOYSA-N
XLogP2.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate (CID 66957986) is methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate is COC(=O)C1(C2c3ccccc3-c3ccccc32)CC(=O)N(O)C1=O.
What is the InChIKey of methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate?
The InChIKey is WTIOHVISQHMAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-25-18(23)19(10-15(21)20(24)17(19)22)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9,16,24H,10H2,1H3.
What are the key properties of methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate?
methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(9H-fluoren-9-yl)-1-hydroxy-2,5-dioxopyrrolidine-3-carboxylate is sourced from PubChem (CID 66957986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).