7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid

C11H13NO4 — CID 67533194

IUPAC7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid
SMILESCC1(C(=O)O)CC=CC2=C1N(C(=O)O)CC2
InChIInChI=1S/C11H13NO4/c1-11(9(13)14)5-2-3-7-4-6-12(8(7)11)10(15)16/h2-3H,4-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyFOVPTZZVGYMNPW-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.67
Rot. Bonds1

About 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid

7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid (PubChem CID 67533194) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid.

Molecular Properties

Compound Name7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid
PubChem CID67533194
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid
SMILESCC1(C(=O)O)CC=CC2=C1N(C(=O)O)CC2
InChIInChI=1S/C11H13NO4/c1-11(9(13)14)5-2-3-7-4-6-12(8(7)11)10(15)16/h2-3H,4-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyFOVPTZZVGYMNPW-UHFFFAOYSA-N
XLogP1.67
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid?
The IUPAC name of 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid (CID 67533194) is 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid.
What is the SMILES notation for 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid?
The canonical SMILES for 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid is CC1(C(=O)O)CC=CC2=C1N(C(=O)O)CC2.
What is the InChIKey of 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid?
The InChIKey is FOVPTZZVGYMNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-11(9(13)14)5-2-3-7-4-6-12(8(7)11)10(15)16/h2-3H,4-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid?
7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,6-dihydro-2H-indole-1,7-dicarboxylic acid is sourced from PubChem (CID 67533194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).