1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one

C14H10N2O5 — CID 43463232

IUPAC1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3ccc([N+](=O)[O-])o3)ccc21
InChIInChI=1S/C14H10N2O5/c1-15-10-3-2-8(6-9(10)7-12(15)17)14(18)11-4-5-13(21-11)16(19)20/h2-6H,7H2,1H3
InChIKeyCBHWYFWOPDQANG-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.94
Rot. Bonds3

About 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one

1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one (PubChem CID 43463232) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one
PubChem CID43463232
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3ccc([N+](=O)[O-])o3)ccc21
InChIInChI=1S/C14H10N2O5/c1-15-10-3-2-8(6-9(10)7-12(15)17)14(18)11-4-5-13(21-11)16(19)20/h2-6H,7H2,1H3
InChIKeyCBHWYFWOPDQANG-UHFFFAOYSA-N
XLogP1.94
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one (CID 43463232) is 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)c3ccc([N+](=O)[O-])o3)ccc21.
What is the InChIKey of 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one?
The InChIKey is CBHWYFWOPDQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c1-15-10-3-2-8(6-9(10)7-12(15)17)14(18)11-4-5-13(21-11)16(19)20/h2-6H,7H2,1H3.
What are the key properties of 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one?
1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one has a molecular weight of 286.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-nitrofuran-2-carbonyl)-3H-indol-2-one is sourced from PubChem (CID 43463232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).