spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid

C14H17NO2 — CID 175544645

IUPACspiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
SMILESO=C(O)N1CC2(CCCCC2)c2ccccc21
InChIInChI=1S/C14H17NO2/c16-13(17)15-10-14(8-4-1-5-9-14)11-6-2-3-7-12(11)15/h2-3,6-7H,1,4-5,8-10H2,(H,16,17)
InChIKeyHGYFOICLUPPRCB-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.39
Rot. Bonds

About spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid

spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid (PubChem CID 175544645) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid.

Molecular Properties

Compound Namespiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
PubChem CID175544645
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namespiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
SMILESO=C(O)N1CC2(CCCCC2)c2ccccc21
InChIInChI=1S/C14H17NO2/c16-13(17)15-10-14(8-4-1-5-9-14)11-6-2-3-7-12(11)15/h2-3,6-7H,1,4-5,8-10H2,(H,16,17)
InChIKeyHGYFOICLUPPRCB-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid?
The IUPAC name of spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid (CID 175544645) is spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid.
What is the SMILES notation for spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid?
The canonical SMILES for spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid is O=C(O)N1CC2(CCCCC2)c2ccccc21.
What is the InChIKey of spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid?
The InChIKey is HGYFOICLUPPRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13(17)15-10-14(8-4-1-5-9-14)11-6-2-3-7-12(11)15/h2-3,6-7H,1,4-5,8-10H2,(H,16,17).
What are the key properties of spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid?
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid is sourced from PubChem (CID 175544645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).