10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

C17H13NO3 — CID 155666662

IUPAC10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCC12c3ccccc3C(=O)N1c1ccccc1C2C(=O)O
InChIInChI=1S/C17H13NO3/c1-17-12-8-4-2-6-10(12)15(19)18(17)13-9-5-3-7-11(13)14(17)16(20)21/h2-9,14H,1H3,(H,20,21)
InChIKeyBLOFEMXIQULMIZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.74
Rot. Bonds1

About 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid

10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (PubChem CID 155666662) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.

Molecular Properties

Compound Name10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
PubChem CID155666662
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid
SMILESCC12c3ccccc3C(=O)N1c1ccccc1C2C(=O)O
InChIInChI=1S/C17H13NO3/c1-17-12-8-4-2-6-10(12)15(19)18(17)13-9-5-3-7-11(13)14(17)16(20)21/h2-9,14H,1H3,(H,20,21)
InChIKeyBLOFEMXIQULMIZ-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The IUPAC name of 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid (CID 155666662) is 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid.
What is the SMILES notation for 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The canonical SMILES for 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is CC12c3ccccc3C(=O)N1c1ccccc1C2C(=O)O.
What is the InChIKey of 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
The InChIKey is BLOFEMXIQULMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-17-12-8-4-2-6-10(12)15(19)18(17)13-9-5-3-7-11(13)14(17)16(20)21/h2-9,14H,1H3,(H,20,21).
What are the key properties of 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid?
10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-methyl-6-oxo-11H-isoindolo[2,1-a]indole-11-carboxylic acid is sourced from PubChem (CID 155666662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).