4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione

C16H16N2O3 — CID 10308292

IUPAC4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2c(c3ccccc31)C1C(=O)NC(=O)C1C(CO)C2
InChIInChI=1S/C16H16N2O3/c1-18-10-5-3-2-4-9(10)13-11(18)6-8(7-19)12-14(13)16(21)17-15(12)20/h2-5,8,12,14,19H,6-7H2,1H3,(H,17,20,21)
InChIKeyYUTQFNLCBOQYJF-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.70
Rot. Bonds1

About 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione

4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10308292) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10308292
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione
SMILESCn1c2c(c3ccccc31)C1C(=O)NC(=O)C1C(CO)C2
InChIInChI=1S/C16H16N2O3/c1-18-10-5-3-2-4-9(10)13-11(18)6-8(7-19)12-14(13)16(21)17-15(12)20/h2-5,8,12,14,19H,6-7H2,1H3,(H,17,20,21)
InChIKeyYUTQFNLCBOQYJF-UHFFFAOYSA-N
XLogP0.70
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione (CID 10308292) is 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione is Cn1c2c(c3ccccc31)C1C(=O)NC(=O)C1C(CO)C2.
What is the InChIKey of 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is YUTQFNLCBOQYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18-10-5-3-2-4-9(10)13-11(18)6-8(7-19)12-14(13)16(21)17-15(12)20/h2-5,8,12,14,19H,6-7H2,1H3,(H,17,20,21).
What are the key properties of 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione?
4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 284.31 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10308292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).