[1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol

C17H21NO5 — CID 87624607

IUPAC[1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol
SMILESCOC1=CCC2=c3c(c(C)c(CO)n3CO)=C(OC)C2=C1OC
InChIInChI=1S/C17H21NO5/c1-9-11(7-19)18(8-20)15-10-5-6-12(21-2)16(22-3)14(10)17(23-4)13(9)15/h6,19-20H,5,7-8H2,1-4H3
InChIKeyQWSZCSLBDZAARE-UHFFFAOYSA-N
MW319.36 g/mol
LogP-0.01
Rot. Bonds5

About [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol

[1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol (PubChem CID 87624607) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol
PubChem CID87624607
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name[1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol
SMILESCOC1=CCC2=c3c(c(C)c(CO)n3CO)=C(OC)C2=C1OC
InChIInChI=1S/C17H21NO5/c1-9-11(7-19)18(8-20)15-10-5-6-12(21-2)16(22-3)14(10)17(23-4)13(9)15/h6,19-20H,5,7-8H2,1-4H3
InChIKeyQWSZCSLBDZAARE-UHFFFAOYSA-N
XLogP-0.01
TPSA73.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol (CID 87624607) is [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol is COC1=CCC2=c3c(c(C)c(CO)n3CO)=C(OC)C2=C1OC.
What is the InChIKey of [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol?
The InChIKey is QWSZCSLBDZAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-9-11(7-19)18(8-20)15-10-5-6-12(21-2)16(22-3)14(10)17(23-4)13(9)15/h6,19-20H,5,7-8H2,1-4H3.
What are the key properties of [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol?
[1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol has a molecular weight of 319.36 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol is sourced from PubChem (CID 87624607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).