5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione

C15H17NO3 — CID 40961478

IUPAC5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2C[C@H]1CCCCO1
InChIInChI=1S/C15H17NO3/c1-10-5-6-13-12(8-10)14(17)15(18)16(13)9-11-4-2-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3/t11-/m1/s1
InChIKeyMTIAOOPRIWPFHA-LLVKDONJSA-N
MW259.31 g/mol
LogP2.09
Rot. Bonds2

About 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione

5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione (PubChem CID 40961478) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione
PubChem CID40961478
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2C[C@H]1CCCCO1
InChIInChI=1S/C15H17NO3/c1-10-5-6-13-12(8-10)14(17)15(18)16(13)9-11-4-2-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3/t11-/m1/s1
InChIKeyMTIAOOPRIWPFHA-LLVKDONJSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione?
The IUPAC name of 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione (CID 40961478) is 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione?
The canonical SMILES for 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2C[C@H]1CCCCO1.
What is the InChIKey of 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione?
The InChIKey is MTIAOOPRIWPFHA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-5-6-13-12(8-10)14(17)15(18)16(13)9-11-4-2-3-7-19-11/h5-6,8,11H,2-4,7,9H2,1H3/t11-/m1/s1.
What are the key properties of 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione?
5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione has a molecular weight of 259.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[(2R)-oxan-2-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 40961478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).