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

C14H15NO2 — CID 156760180

IUPAC5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESCc1ccc2c(c1)C1(CCC(=O)CC1)C(=O)N2
InChIInChI=1S/C14H15NO2/c1-9-2-3-12-11(8-9)14(13(17)15-12)6-4-10(16)5-7-14/h2-3,8H,4-7H2,1H3,(H,15,17)
InChIKeyNBWXMTIPXBTCEG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.33
Rot. Bonds

About 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione

5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione (PubChem CID 156760180) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
PubChem CID156760180
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESCc1ccc2c(c1)C1(CCC(=O)CC1)C(=O)N2
InChIInChI=1S/C14H15NO2/c1-9-2-3-12-11(8-9)14(13(17)15-12)6-4-10(16)5-7-14/h2-3,8H,4-7H2,1H3,(H,15,17)
InChIKeyNBWXMTIPXBTCEG-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione (CID 156760180) is 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione is Cc1ccc2c(c1)C1(CCC(=O)CC1)C(=O)N2.
What is the InChIKey of 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The InChIKey is NBWXMTIPXBTCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-2-3-12-11(8-9)14(13(17)15-12)6-4-10(16)5-7-14/h2-3,8H,4-7H2,1H3,(H,15,17).
What are the key properties of 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione has a molecular weight of 229.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 156760180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).