(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate

C19H15NO6 — CID 18968177

IUPAC(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
SMILESO=C(OOCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C19H15NO6/c21-17-9-10-18(22)20(17)25-19(23)26-24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2
InChIKeyCWYWQBJUULAPSI-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.95
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate

(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate (PubChem CID 18968177) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
PubChem CID18968177
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
SMILESO=C(OOCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C19H15NO6/c21-17-9-10-18(22)20(17)25-19(23)26-24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2
InChIKeyCWYWQBJUULAPSI-UHFFFAOYSA-N
XLogP2.95
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 90136786
9H-fluoren-9-ylmethoxy carbonochloridate
CID 22145274
2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 143777459
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoate
CID 86276390
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 89202897
[2-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118632709
[(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate
CID 88855681
(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate
CID 148558387
bis(2,5-dioxopyrrolidin-1-yl) carbonate;bis(2,5-dioxopyrrolidin-1-yl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate;2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
CID 159986268
3-[[1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-3-sulfopropan-2-yl]amino]-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfopropanoyl]amino]-3-oxopropane-1-sulfonic acid
CID 88564207
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-4-methylpentanoate
CID 175698151
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-ylpropanoate
CID 150626841

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate (CID 18968177) is (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate is O=C(OOCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate?
The InChIKey is CWYWQBJUULAPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c21-17-9-10-18(22)20(17)25-19(23)26-24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate?
(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate has a molecular weight of 353.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate is sourced from PubChem (CID 18968177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).