2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid

C15H17NO2 — CID 23586413

IUPAC2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid
SMILESCC1=Nc2ccccc2C12CCC(C(=O)O)CC2
InChIInChI=1S/C15H17NO2/c1-10-15(8-6-11(7-9-15)14(17)18)12-4-2-3-5-13(12)16-10/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyKIEIUOXSQHEISR-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.31
Rot. Bonds1

About 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid

2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid (PubChem CID 23586413) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid.

Molecular Properties

Compound Name2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid
PubChem CID23586413
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid
SMILESCC1=Nc2ccccc2C12CCC(C(=O)O)CC2
InChIInChI=1S/C15H17NO2/c1-10-15(8-6-11(7-9-15)14(17)18)12-4-2-3-5-13(12)16-10/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyKIEIUOXSQHEISR-UHFFFAOYSA-N
XLogP3.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid?
The IUPAC name of 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid (CID 23586413) is 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid.
What is the SMILES notation for 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid?
The canonical SMILES for 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid is CC1=Nc2ccccc2C12CCC(C(=O)O)CC2.
What is the InChIKey of 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid?
The InChIKey is KIEIUOXSQHEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-15(8-6-11(7-9-15)14(17)18)12-4-2-3-5-13(12)16-10/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid?
2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[cyclohexane-4,3'-indole]-1-carboxylic acid is sourced from PubChem (CID 23586413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).