methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C17H15NO5 — CID 134136443

IUPACmethyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H15NO5/c1-21-12-5-3-4-11(8-12)15(19)10-18-13-6-7-23-16(13)9-14(18)17(20)22-2/h3-9H,10H2,1-2H3
InChIKeyHSHIDPUXMWSRGZ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.91
Rot. Bonds5

About methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 134136443) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID134136443
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namemethyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H15NO5/c1-21-12-5-3-4-11(8-12)15(19)10-18-13-6-7-23-16(13)9-14(18)17(20)22-2/h3-9H,10H2,1-2H3
InChIKeyHSHIDPUXMWSRGZ-UHFFFAOYSA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883388
methyl 4-formyl-1-[2-(3-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate
CID 87648736
1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 90363608
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid
CID 12733404
ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438687
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 62849259
2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 121200257

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 134136443) is methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)c1cccc(OC)c1.
What is the InChIKey of methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HSHIDPUXMWSRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-21-12-5-3-4-11(8-12)15(19)10-18-13-6-7-23-16(13)9-14(18)17(20)22-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-methoxyphenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 134136443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).