(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate

C20H13NO7 — CID 137390827

IUPAC(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H13NO7/c22-16-7-8-17(23)21(16)28-20(26)27-10-11-5-6-14-15(9-11)19(25)13-4-2-1-3-12(13)18(14)24/h1-6,9H,7-8,10H2
InChIKeyHDKNAOWDBAUHBV-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.18
Rot. Bonds3

About (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate

(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 137390827) has the molecular formula C20H13NO7 and a molecular weight of 379.32 g/mol. Its IUPAC name is (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID137390827
Molecular FormulaC20H13NO7
Molecular Weight379.32 g/mol
Exact Mass379.07
IUPAC Name(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H13NO7/c22-16-7-8-17(23)21(16)28-20(26)27-10-11-5-6-14-15(9-11)19(25)13-4-2-1-3-12(13)18(14)24/h1-6,9H,7-8,10H2
InChIKeyHDKNAOWDBAUHBV-UHFFFAOYSA-N
XLogP2.18
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 137390827) is (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate is O=C(OCc1ccc2c(c1)C(=O)c1ccccc1C2=O)ON1C(=O)CCC1=O.
What is the InChIKey of (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is HDKNAOWDBAUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO7/c22-16-7-8-17(23)21(16)28-20(26)27-10-11-5-6-14-15(9-11)19(25)13-4-2-1-3-12(13)18(14)24/h1-6,9H,7-8,10H2.
What are the key properties of (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 379.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 137390827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).