methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate

C11H9NO4 — CID 90888890

IUPACmethyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2oc(CN=O)cc2c1
InChIInChI=1S/C11H9NO4/c1-15-11(13)7-2-3-10-8(4-7)5-9(16-10)6-12-14/h2-5H,6H2,1H3
InChIKeyOHSOINRYZGXCMD-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.49
Rot. Bonds3

About methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate

methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate (PubChem CID 90888890) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate
PubChem CID90888890
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Namemethyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2oc(CN=O)cc2c1
InChIInChI=1S/C11H9NO4/c1-15-11(13)7-2-3-10-8(4-7)5-9(16-10)6-12-14/h2-5H,6H2,1H3
InChIKeyOHSOINRYZGXCMD-UHFFFAOYSA-N
XLogP2.49
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
CID 23655159
methyl 2-methylsulfanyl-1-benzofuran-5-carboxylate
CID 168792495
methyl 2-(diethoxymethyl)-1-benzofuran-5-carboxylate
CID 22481762
methyl 2-[(dimethylamino)methyl]-1-benzofuran-6-carboxylate
CID 58897575
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871
methyl 2-(bromomethyl)-1,3-benzoxazole-5-carboxylate
CID 19917455
methyl 2-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1-benzofuran-5-carboxylate
CID 168792487
methyl 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzoate
CID 22274633
methyl dibenzofuran-2-carboxylate
CID 3702628
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
methyl 2-[5-(1-benzofuran-5-carbonyloxy)hexan-2-yl]-1-benzofuran-5-carboxylate
CID 91428482

Frequently Asked Questions

What is the IUPAC name of methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate (CID 90888890) is methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate is COC(=O)c1ccc2oc(CN=O)cc2c1.
What is the InChIKey of methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate?
The InChIKey is OHSOINRYZGXCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-11(13)7-2-3-10-8(4-7)5-9(16-10)6-12-14/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate?
methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(nitrosomethyl)-1-benzofuran-5-carboxylate is sourced from PubChem (CID 90888890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).