[9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol

C19H22N2O2 — CID 71574550

IUPAC[9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
SMILESCCn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(C)n1C2
InChIInChI=1S/C19H22N2O2/c1-3-20-17-7-5-4-6-13(17)14-8-18-16(11-23)15(10-22)12(2)21(18)9-19(14)20/h4-7,22-23H,3,8-11H2,1-2H3
InChIKeyGBBDLMNBFFCFGW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.71
Rot. Bonds3

About [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol

[9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol (PubChem CID 71574550) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol.

Molecular Properties

Compound Name[9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
PubChem CID71574550
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
SMILESCCn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(C)n1C2
InChIInChI=1S/C19H22N2O2/c1-3-20-17-7-5-4-6-13(17)14-8-18-16(11-23)15(10-22)12(2)21(18)9-19(14)20/h4-7,22-23H,3,8-11H2,1-2H3
InChIKeyGBBDLMNBFFCFGW-UHFFFAOYSA-N
XLogP2.71
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 51174
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(1-Benzyl-1h-indol-3-yl)methanol
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[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
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(3-ethyl-2-hydroxymethyl-8H-3a-azacyclopenta[a]inden-1-yl)-methanol
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(2-Hydroxymethyl-3-methyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl)methanol
CID 42597446
[3-Ethyl-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597447
[2-(Hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597448
(2-hydroxymethyl-3-methyl-8H-3a-aza-cyclopenta-[a]inden-1-yl)methanol
CID 42599120
(2-Hydroxymethyl-3-phenyl-8H-3a-azacyclopenta[a]inden-1-yl)methanol
CID 42599377

Frequently Asked Questions

What is the IUPAC name of [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The IUPAC name of [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol (CID 71574550) is [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol.
What is the SMILES notation for [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The canonical SMILES for [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol is CCn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(C)n1C2.
What is the InChIKey of [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The InChIKey is GBBDLMNBFFCFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-20-17-7-5-4-6-13(17)14-8-18-16(11-23)15(10-22)12(2)21(18)9-19(14)20/h4-7,22-23H,3,8-11H2,1-2H3.
What are the key properties of [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
[9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol has a molecular weight of 310.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol is sourced from PubChem (CID 71574550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).