2,3-dihydroindole-1-carboxylic acid

C9H9NO2 — CID 18762444

IUPAC2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccccc21
InChIInChI=1S/C9H9NO2/c11-9(12)10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2,(H,11,12)
InChIKeyTYHYESDUJZRBKS-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.73
Rot. Bonds

About 2,3-dihydroindole-1-carboxylic acid

2,3-dihydroindole-1-carboxylic acid (PubChem CID 18762444) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroindole-1-carboxylic acid
PubChem CID18762444
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccccc21
InChIInChI=1S/C9H9NO2/c11-9(12)10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2,(H,11,12)
InChIKeyTYHYESDUJZRBKS-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 2,3-dihydroindole-1-carboxylic acid (CID 18762444) is 2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 2,3-dihydroindole-1-carboxylic acid is O=C(O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindole-1-carboxylic acid?
The InChIKey is TYHYESDUJZRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(12)10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2,(H,11,12).
What are the key properties of 2,3-dihydroindole-1-carboxylic acid?
2,3-dihydroindole-1-carboxylic acid has a molecular weight of 163.18 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 18762444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).