(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone

C14H11NO5 — CID 43463830

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone
SMILESCC1Cc2cc(C(=O)c3ccc([N+](=O)[O-])o3)ccc2O1
InChIInChI=1S/C14H11NO5/c1-8-6-10-7-9(2-3-11(10)19-8)14(16)12-4-5-13(20-12)15(17)18/h2-5,7-8H,6H2,1H3
InChIKeyXZKALEMZABPZHL-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.74
Rot. Bonds3

About (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone (PubChem CID 43463830) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone
PubChem CID43463830
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone
SMILESCC1Cc2cc(C(=O)c3ccc([N+](=O)[O-])o3)ccc2O1
InChIInChI=1S/C14H11NO5/c1-8-6-10-7-9(2-3-11(10)19-8)14(16)12-4-5-13(20-12)15(17)18/h2-5,7-8H,6H2,1H3
InChIKeyXZKALEMZABPZHL-UHFFFAOYSA-N
XLogP2.74
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.74
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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Related Compounds

(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
5-[bromo-(5-nitrofuran-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61097187
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
(3-bromo-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 81471610
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
(4-bromo-3-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 63491672
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
CID 43463835
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone (CID 43463830) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone is CC1Cc2cc(C(=O)c3ccc([N+](=O)[O-])o3)ccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone?
The InChIKey is XZKALEMZABPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-8-6-10-7-9(2-3-11(10)19-8)14(16)12-4-5-13(20-12)15(17)18/h2-5,7-8H,6H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone has a molecular weight of 273.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 43463830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).