3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate

C21H14N3O3- — CID 90658683

IUPAC3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate
SMILESO=C(O)c1[nH]c(-c2c[nH]c3ccc([O-])cc23)cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27)/p-1
InChIKeyHNIIMOJBRIPGHJ-UHFFFAOYSA-M
MW356.36 g/mol
LogP4.08
Rot. Bonds3

About 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate

3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate (PubChem CID 90658683) has the molecular formula C21H14N3O3- and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate.

Molecular Properties

Compound Name3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate
PubChem CID90658683
Molecular FormulaC21H14N3O3-
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Name3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate
SMILESO=C(O)c1[nH]c(-c2c[nH]c3ccc([O-])cc23)cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27)/p-1
InChIKeyHNIIMOJBRIPGHJ-UHFFFAOYSA-M
XLogP4.08
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate?
The IUPAC name of 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate (CID 90658683) is 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate.
What is the SMILES notation for 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate?
The canonical SMILES for 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate is O=C(O)c1[nH]c(-c2c[nH]c3ccc([O-])cc23)cc1-c1c[nH]c2ccccc12.
What is the InChIKey of 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate?
The InChIKey is HNIIMOJBRIPGHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27)/p-1.
What are the key properties of 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate?
3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate has a molecular weight of 356.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate is sourced from PubChem (CID 90658683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).