2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione

C14H15NO2 — CID 59069770

IUPAC2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESCC1CC2(CCC1=O)C(=O)Nc1ccccc12
InChIInChI=1S/C14H15NO2/c1-9-8-14(7-6-12(9)16)10-4-2-3-5-11(10)15-13(14)17/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyGGLUXWXPYRTSIK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.27
Rot. Bonds

About 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione

2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione (PubChem CID 59069770) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
PubChem CID59069770
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESCC1CC2(CCC1=O)C(=O)Nc1ccccc12
InChIInChI=1S/C14H15NO2/c1-9-8-14(7-6-12(9)16)10-4-2-3-5-11(10)15-13(14)17/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyGGLUXWXPYRTSIK-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione (CID 59069770) is 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione is CC1CC2(CCC1=O)C(=O)Nc1ccccc12.
What is the InChIKey of 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The InChIKey is GGLUXWXPYRTSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-8-14(7-6-12(9)16)10-4-2-3-5-11(10)15-13(14)17/h2-5,9H,6-8H2,1H3,(H,15,17).
What are the key properties of 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione has a molecular weight of 229.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 59069770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).