1-propylindigole-2-carboxylic acid

C8H11InO2 — CID 140552131

IUPAC1-propylindigole-2-carboxylic acid
SMILESCCC[In]1C=CC=C1C(=O)O
InChIInChI=1S/C5H4O2.C3H7.In/c1-2-3-4-5(6)7;1-3-2;/h1-3H,(H,6,7);1,3H2,2H3;
InChIKeyFPFUDJYHDQYEPP-UHFFFAOYSA-N
MW253.99 g/mol
LogP1.55
Rot. Bonds3

About 1-propylindigole-2-carboxylic acid

1-propylindigole-2-carboxylic acid (PubChem CID 140552131) has the molecular formula C8H11InO2 and a molecular weight of 253.99 g/mol. Its IUPAC name is 1-propylindigole-2-carboxylic acid.

Molecular Properties

Compound Name1-propylindigole-2-carboxylic acid
PubChem CID140552131
Molecular FormulaC8H11InO2
Molecular Weight253.99 g/mol
Exact Mass253.98
IUPAC Name1-propylindigole-2-carboxylic acid
SMILESCCC[In]1C=CC=C1C(=O)O
InChIInChI=1S/C5H4O2.C3H7.In/c1-2-3-4-5(6)7;1-3-2;/h1-3H,(H,6,7);1,3H2,2H3;
InChIKeyFPFUDJYHDQYEPP-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.99
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propylindigole-2-carboxylic acid?
The IUPAC name of 1-propylindigole-2-carboxylic acid (CID 140552131) is 1-propylindigole-2-carboxylic acid.
What is the SMILES notation for 1-propylindigole-2-carboxylic acid?
The canonical SMILES for 1-propylindigole-2-carboxylic acid is CCC[In]1C=CC=C1C(=O)O.
What is the InChIKey of 1-propylindigole-2-carboxylic acid?
The InChIKey is FPFUDJYHDQYEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.C3H7.In/c1-2-3-4-5(6)7;1-3-2;/h1-3H,(H,6,7);1,3H2,2H3;.
What are the key properties of 1-propylindigole-2-carboxylic acid?
1-propylindigole-2-carboxylic acid has a molecular weight of 253.99 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylindigole-2-carboxylic acid is sourced from PubChem (CID 140552131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).