spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid

C12H13NO2 — CID 139410820

IUPACspiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid
SMILESO=C(O)c1cccc2c1C1(CCC1)CN2
InChIInChI=1S/C12H13NO2/c14-11(15)8-3-1-4-9-10(8)12(7-13-9)5-2-6-12/h1,3-4,13H,2,5-7H2,(H,14,15)
InChIKeyXEMLTZUJFUGZKU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.23
Rot. Bonds1

About spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid

spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid (PubChem CID 139410820) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid.

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid
PubChem CID139410820
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namespiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid
SMILESO=C(O)c1cccc2c1C1(CCC1)CN2
InChIInChI=1S/C12H13NO2/c14-11(15)8-3-1-4-9-10(8)12(7-13-9)5-2-6-12/h1,3-4,13H,2,5-7H2,(H,14,15)
InChIKeyXEMLTZUJFUGZKU-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid?
The IUPAC name of spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid (CID 139410820) is spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid.
What is the SMILES notation for spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid?
The canonical SMILES for spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid is O=C(O)c1cccc2c1C1(CCC1)CN2.
What is the InChIKey of spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid?
The InChIKey is XEMLTZUJFUGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11(15)8-3-1-4-9-10(8)12(7-13-9)5-2-6-12/h1,3-4,13H,2,5-7H2,(H,14,15).
What are the key properties of spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid?
spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid is sourced from PubChem (CID 139410820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).