[3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol

C14H15NO2 — CID 42599120

IUPAC[3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1-c1ccccc1C2
InChIInChI=1S/C14H15NO2/c1-9-11(7-16)12(8-17)14-6-10-4-2-3-5-13(10)15(9)14/h2-5,16-17H,6-8H2,1H3
InChIKeyPLJQHKWMUDHDEF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.67
Rot. Bonds2

About [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol

[3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol (PubChem CID 42599120) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol
PubChem CID42599120
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name[3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1-c1ccccc1C2
InChIInChI=1S/C14H15NO2/c1-9-11(7-16)12(8-17)14-6-10-4-2-3-5-13(10)15(9)14/h2-5,16-17H,6-8H2,1H3
InChIKeyPLJQHKWMUDHDEF-UHFFFAOYSA-N
XLogP1.67
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-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 [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol (CID 42599120) is [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol is Cc1c(CO)c(CO)c2n1-c1ccccc1C2.
What is the InChIKey of [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol?
The InChIKey is PLJQHKWMUDHDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-11(7-16)12(8-17)14-6-10-4-2-3-5-13(10)15(9)14/h2-5,16-17H,6-8H2,1H3.
What are the key properties of [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol?
[3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-methyl-4H-pyrrolo[1,2-a]indol-2-yl]methanol is sourced from PubChem (CID 42599120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).