methyl 7-nitroso-1-benzofuran-4-carboxylate

C10H7NO4 — CID 142822071

IUPACmethyl 7-nitroso-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1ccc(N=O)c2occc12
InChIInChI=1S/C10H7NO4/c1-14-10(12)7-2-3-8(11-13)9-6(7)4-5-15-9/h2-5H,1H3
InChIKeyRODUCVBTYACORE-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.62
Rot. Bonds2

About methyl 7-nitroso-1-benzofuran-4-carboxylate

methyl 7-nitroso-1-benzofuran-4-carboxylate (PubChem CID 142822071) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 7-nitroso-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-nitroso-1-benzofuran-4-carboxylate
PubChem CID142822071
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Namemethyl 7-nitroso-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1ccc(N=O)c2occc12
InChIInChI=1S/C10H7NO4/c1-14-10(12)7-2-3-8(11-13)9-6(7)4-5-15-9/h2-5H,1H3
InChIKeyRODUCVBTYACORE-UHFFFAOYSA-N
XLogP2.62
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-nitroso-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 7-nitroso-1-benzofuran-4-carboxylate (CID 142822071) is methyl 7-nitroso-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 7-nitroso-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 7-nitroso-1-benzofuran-4-carboxylate is COC(=O)c1ccc(N=O)c2occc12.
What is the InChIKey of methyl 7-nitroso-1-benzofuran-4-carboxylate?
The InChIKey is RODUCVBTYACORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c1-14-10(12)7-2-3-8(11-13)9-6(7)4-5-15-9/h2-5H,1H3.
What are the key properties of methyl 7-nitroso-1-benzofuran-4-carboxylate?
methyl 7-nitroso-1-benzofuran-4-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-nitroso-1-benzofuran-4-carboxylate is sourced from PubChem (CID 142822071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).