1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid

C14H17NO3 — CID 22397482

IUPAC1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)C(C)N2C1CC1
InChIInChI=1S/C14H17NO3/c1-8-13(14(16)17)11-7-10(18-2)5-6-12(11)15(8)9-3-4-9/h5-9,13H,3-4H2,1-2H3,(H,16,17)
InChIKeyCVEHXPJNZZIJMP-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.23
Rot. Bonds3

About 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid

1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid (PubChem CID 22397482) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid
PubChem CID22397482
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid
SMILESCOc1ccc2c(c1)C(C(=O)O)C(C)N2C1CC1
InChIInChI=1S/C14H17NO3/c1-8-13(14(16)17)11-7-10(18-2)5-6-12(11)15(8)9-3-4-9/h5-9,13H,3-4H2,1-2H3,(H,16,17)
InChIKeyCVEHXPJNZZIJMP-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 142283526
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid (CID 22397482) is 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid is COc1ccc2c(c1)C(C(=O)O)C(C)N2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is CVEHXPJNZZIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-13(14(16)17)11-7-10(18-2)5-6-12(11)15(8)9-3-4-9/h5-9,13H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid?
1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 22397482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).