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

C19H17NO5 — CID 143777459

IUPAC2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCC1C2=C(C=CCC2)c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C19H17NO5/c21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-3,5-7,16H,4,8-11H2
InChIKeyMXTHZXVANMPXFI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.10
Rot. Bonds3

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

2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 143777459) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID143777459
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCC1C2=C(C=CCC2)c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C19H17NO5/c21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-3,5-7,16H,4,8-11H2
InChIKeyMXTHZXVANMPXFI-UHFFFAOYSA-N
XLogP3.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 163499760
(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
CID 18968177
[(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-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118632709
(2,5-dioxopyrrolidin-1-yl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 90136786
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 87384668
[2-[4-(2-azidoethoxy)butanoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;ethane
CID 167651855
2-[6-[4-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonyl)-1,4-diazepan-1-yl]-4-oxoquinazolin-3-yl]acetic acid
CID 70910025
(2,5-dioxopyrrolidin-1-yl) [2-[3-[3-[4-[1-[3-[[9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1,2,3,4-tetrahydroxybutyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]-9H-fluoren-9-yl]methyl carbonate
CID 50898555
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) 2-phenylethyl carbonate
CID 15927737
[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 163680994

Frequently Asked Questions

What is the IUPAC name of 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 143777459) is 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate is O=C(OCC1C2=C(C=CCC2)c2ccccc21)ON1C(=O)CCC1=O.
What is the InChIKey of 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is MXTHZXVANMPXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-3,5-7,16H,4,8-11H2.
What are the key properties of 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 339.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 143777459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).