2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid

C15H11NO4 — CID 11097576

IUPAC2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)c2ccc3occc3c2)c1
InChIInChI=1S/C15H11NO4/c17-14(18)9-16-5-3-12(8-16)15(19)11-1-2-13-10(7-11)4-6-20-13/h1-8H,9H2,(H,17,18)
InChIKeyMOPGZJFAPUOHSG-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.55
Rot. Bonds4

About 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid

2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid (PubChem CID 11097576) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid
PubChem CID11097576
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)c2ccc3occc3c2)c1
InChIInChI=1S/C15H11NO4/c17-14(18)9-16-5-3-12(8-16)15(19)11-1-2-13-10(7-11)4-6-20-13/h1-8H,9H2,(H,17,18)
InChIKeyMOPGZJFAPUOHSG-UHFFFAOYSA-N
XLogP2.55
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid (CID 11097576) is 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)c2ccc3occc3c2)c1.
What is the InChIKey of 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid?
The InChIKey is MOPGZJFAPUOHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(18)9-16-5-3-12(8-16)15(19)11-1-2-13-10(7-11)4-6-20-13/h1-8H,9H2,(H,17,18).
What are the key properties of 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid?
2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 11097576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).