2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide

C19H17NO5 — CID 4059376

IUPAC2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCC1CCCO1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO5/c1-10-14(19(23)20-9-11-5-4-8-24-11)15-16(21)12-6-2-3-7-13(12)17(22)18(15)25-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyUQPPEIMDIHYWRS-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide

2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide (PubChem CID 4059376) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
PubChem CID4059376
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCC1CCCO1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO5/c1-10-14(19(23)20-9-11-5-4-8-24-11)15-16(21)12-6-2-3-7-13(12)17(22)18(15)25-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyUQPPEIMDIHYWRS-UHFFFAOYSA-N
XLogP2.27
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide (CID 4059376) is 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCC1CCCO1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The InChIKey is UQPPEIMDIHYWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-10-14(19(23)20-9-11-5-4-8-24-11)15-16(21)12-6-2-3-7-13(12)17(22)18(15)25-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,20,23).
What are the key properties of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide is sourced from PubChem (CID 4059376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).