[1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol

C15H17NO2 — CID 42597446

IUPAC[1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1ccccc1C2
InChIInChI=1S/C15H17NO2/c1-10-13(8-17)14(9-18)15-6-11-4-2-3-5-12(11)7-16(10)15/h2-5,17-18H,6-9H2,1H3
InChIKeyBVWJQOIYMKGOCN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.73
Rot. Bonds2

About [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol

[1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol (PubChem CID 42597446) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol
PubChem CID42597446
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1ccccc1C2
InChIInChI=1S/C15H17NO2/c1-10-13(8-17)14(9-18)15-6-11-4-2-3-5-12(11)7-16(10)15/h2-5,17-18H,6-9H2,1H3
InChIKeyBVWJQOIYMKGOCN-UHFFFAOYSA-N
XLogP1.73
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol (CID 42597446) is [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol is Cc1c(CO)c(CO)c2n1Cc1ccccc1C2.
What is the InChIKey of [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol?
The InChIKey is BVWJQOIYMKGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-13(8-17)14(9-18)15-6-11-4-2-3-5-12(11)7-16(10)15/h2-5,17-18H,6-9H2,1H3.
What are the key properties of [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol?
[1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-2-yl]methanol is sourced from PubChem (CID 42597446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).