N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide

C20H18N2O4 — CID 118715275

IUPACN-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18N2O4/c23-17-10-15-14(19(25)12-5-1-2-6-13(12)20(15)26)9-16(17)21-18(24)11-22-7-3-4-8-22/h1-2,5-6,9-10,23H,3-4,7-8,11H2,(H,21,24)
InChIKeyGYWQOEYTEXARIX-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.20
Rot. Bonds3

About N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide

N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 118715275) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID118715275
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18N2O4/c23-17-10-15-14(19(25)12-5-1-2-6-13(12)20(15)26)9-16(17)21-18(24)11-22-7-3-4-8-22/h1-2,5-6,9-10,23H,3-4,7-8,11H2,(H,21,24)
InChIKeyGYWQOEYTEXARIX-UHFFFAOYSA-N
XLogP2.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide (CID 118715275) is N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is GYWQOEYTEXARIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-17-10-15-14(19(25)12-5-1-2-6-13(12)20(15)26)9-16(17)21-18(24)11-22-7-3-4-8-22/h1-2,5-6,9-10,23H,3-4,7-8,11H2,(H,21,24).
What are the key properties of N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide?
N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 350.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-9,10-dioxoanthracen-2-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 118715275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).