1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid

C13H15NO2 — CID 115115180

IUPAC1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C2CCC2)c2ccccc21
InChIInChI=1S/C13H15NO2/c15-13(16)11-8-14(9-4-3-5-9)12-7-2-1-6-10(11)12/h1-2,6-7,9,11H,3-5,8H2,(H,15,16)
InChIKeyHSJHZYXZLFDRBU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds2

About 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid

1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid (PubChem CID 115115180) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid
PubChem CID115115180
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C2CCC2)c2ccccc21
InChIInChI=1S/C13H15NO2/c15-13(16)11-8-14(9-4-3-5-9)12-7-2-1-6-10(11)12/h1-2,6-7,9,11H,3-5,8H2,(H,15,16)
InChIKeyHSJHZYXZLFDRBU-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylcyclohexyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566401
2-(1-cyclobutyl-2,3-dihydroindol-3-yl)propan-2-ol
CID 115115167
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
2-(oxan-3-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260731
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid
CID 107135407
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691709
1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563640
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid (CID 115115180) is 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C2CCC2)c2ccccc21.
What is the InChIKey of 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is HSJHZYXZLFDRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)11-8-14(9-4-3-5-9)12-7-2-1-6-10(11)12/h1-2,6-7,9,11H,3-5,8H2,(H,15,16).
What are the key properties of 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid?
1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 115115180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).