[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C16H13NO4 — CID 2532000

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H13NO4/c1-17-8-4-6-12(17)16(19)20-10-13(18)15-9-11-5-2-3-7-14(11)21-15/h2-9H,10H2,1H3
InChIKeyBUCOFPLQJZFKOE-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.81
Rot. Bonds4

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 2532000) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID2532000
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H13NO4/c1-17-8-4-6-12(17)16(19)20-10-13(18)15-9-11-5-2-3-7-14(11)21-15/h2-9H,10H2,1H3
InChIKeyBUCOFPLQJZFKOE-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861643
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535503
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386600
[4-[(1-methylpyrrole-2-carbonyl)oxymethyl]phenyl]methyl 1-methylpyrrole-2-carboxylate
CID 7229032
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503059
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8891276
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 2532000) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is BUCOFPLQJZFKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-17-8-4-6-12(17)16(19)20-10-13(18)15-9-11-5-2-3-7-14(11)21-15/h2-9H,10H2,1H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2532000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).