1,3-di(propan-2-yl)indole-7-carboxylic acid

C15H19NO2 — CID 83945414

IUPAC1,3-di(propan-2-yl)indole-7-carboxylic acid
SMILESCC(C)c1cn(C(C)C)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H19NO2/c1-9(2)13-8-16(10(3)4)14-11(13)6-5-7-12(14)15(17)18/h5-10H,1-4H3,(H,17,18)
InChIKeyYQBUXZFEFQDQGR-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.04
Rot. Bonds3

About 1,3-di(propan-2-yl)indole-7-carboxylic acid

1,3-di(propan-2-yl)indole-7-carboxylic acid (PubChem CID 83945414) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1,3-di(propan-2-yl)indole-7-carboxylic acid
PubChem CID83945414
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,3-di(propan-2-yl)indole-7-carboxylic acid
SMILESCC(C)c1cn(C(C)C)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H19NO2/c1-9(2)13-8-16(10(3)4)14-11(13)6-5-7-12(14)15(17)18/h5-10H,1-4H3,(H,17,18)
InChIKeyYQBUXZFEFQDQGR-UHFFFAOYSA-N
XLogP4.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)indole-7-carboxylic acid?
The IUPAC name of 1,3-di(propan-2-yl)indole-7-carboxylic acid (CID 83945414) is 1,3-di(propan-2-yl)indole-7-carboxylic acid.
What is the SMILES notation for 1,3-di(propan-2-yl)indole-7-carboxylic acid?
The canonical SMILES for 1,3-di(propan-2-yl)indole-7-carboxylic acid is CC(C)c1cn(C(C)C)c2c(C(=O)O)cccc12.
What is the InChIKey of 1,3-di(propan-2-yl)indole-7-carboxylic acid?
The InChIKey is YQBUXZFEFQDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)13-8-16(10(3)4)14-11(13)6-5-7-12(14)15(17)18/h5-10H,1-4H3,(H,17,18).
What are the key properties of 1,3-di(propan-2-yl)indole-7-carboxylic acid?
1,3-di(propan-2-yl)indole-7-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)indole-7-carboxylic acid is sourced from PubChem (CID 83945414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).