[3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate

C19H15NO5 — CID 86587342

IUPAC[3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate
SMILESO=C(O)ON1C(=O)CC(Cc2cccc3c2Cc2ccccc2-3)C1=O
InChIInChI=1S/C19H15NO5/c21-17-10-13(18(22)20(17)25-19(23)24)8-11-5-3-7-15-14-6-2-1-4-12(14)9-16(11)15/h1-7,13H,8-10H2,(H,23,24)
InChIKeyLKHIWNBVLGWJGS-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.79
Rot. Bonds3

About [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate

[3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate (PubChem CID 86587342) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate
PubChem CID86587342
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name[3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate
SMILESO=C(O)ON1C(=O)CC(Cc2cccc3c2Cc2ccccc2-3)C1=O
InChIInChI=1S/C19H15NO5/c21-17-10-13(18(22)20(17)25-19(23)24)8-11-5-3-7-15-14-6-2-1-4-12(14)9-16(11)15/h1-7,13H,8-10H2,(H,23,24)
InChIKeyLKHIWNBVLGWJGS-UHFFFAOYSA-N
XLogP2.79
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate?
The IUPAC name of [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate (CID 86587342) is [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate.
What is the SMILES notation for [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate?
The canonical SMILES for [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate is O=C(O)ON1C(=O)CC(Cc2cccc3c2Cc2ccccc2-3)C1=O.
What is the InChIKey of [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate?
The InChIKey is LKHIWNBVLGWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-17-10-13(18(22)20(17)25-19(23)24)8-11-5-3-7-15-14-6-2-1-4-12(14)9-16(11)15/h1-7,13H,8-10H2,(H,23,24).
What are the key properties of [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate?
[3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate has a molecular weight of 337.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9H-fluoren-1-ylmethyl)-2,5-dioxopyrrolidin-1-yl] hydrogen carbonate is sourced from PubChem (CID 86587342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).