3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one

C14H13NO4 — CID 78435463

IUPAC3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one
SMILESCC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O
InChIInChI=1S/C14H13NO4/c1-7-11(8(2)16)13(18)12(17)9-5-3-4-6-10(9)14(13,19)15-7/h3-6,11,18-19H,1-2H3
InChIKeyLVHBJFXQDIWUIO-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.44
Rot. Bonds1

About 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one

3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one (PubChem CID 78435463) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one.

Molecular Properties

Compound Name3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one
PubChem CID78435463
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one
SMILESCC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O
InChIInChI=1S/C14H13NO4/c1-7-11(8(2)16)13(18)12(17)9-5-3-4-6-10(9)14(13,19)15-7/h3-6,11,18-19H,1-2H3
InChIKeyLVHBJFXQDIWUIO-UHFFFAOYSA-N
XLogP0.44
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one?
The IUPAC name of 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one (CID 78435463) is 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one.
What is the SMILES notation for 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one?
The canonical SMILES for 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one is CC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O.
What is the InChIKey of 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one?
The InChIKey is LVHBJFXQDIWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-7-11(8(2)16)13(18)12(17)9-5-3-4-6-10(9)14(13,19)15-7/h3-6,11,18-19H,1-2H3.
What are the key properties of 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one?
3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one has a molecular weight of 259.26 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-3a,8b-dihydroxy-2-methyl-3H-indeno[1,2-b]pyrrol-4-one is sourced from PubChem (CID 78435463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).