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

C18H20N2O2 — CID 56945246

IUPAC[3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1C)C2
InChIInChI=1S/C18H20N2O2/c1-11-14(9-21)15(10-22)17-7-13-12-5-3-4-6-16(12)19(2)18(13)8-20(11)17/h3-6,21-22H,7-10H2,1-2H3
InChIKeyWMQXHWFHWSAGQF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.23
Rot. Bonds2

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

[3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol (PubChem CID 56945246) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
PubChem CID56945246
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1C)C2
InChIInChI=1S/C18H20N2O2/c1-11-14(9-21)15(10-22)17-7-13-12-5-3-4-6-16(12)19(2)18(13)8-20(11)17/h3-6,21-22H,7-10H2,1-2H3
InChIKeyWMQXHWFHWSAGQF-UHFFFAOYSA-N
XLogP2.23
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol (CID 56945246) is [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol is Cc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1C)C2.
What is the InChIKey of [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The InChIKey is WMQXHWFHWSAGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-14(9-21)15(10-22)17-7-13-12-5-3-4-6-16(12)19(2)18(13)8-20(11)17/h3-6,21-22H,7-10H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
[3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol has a molecular weight of 296.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1,9-dimethyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol is sourced from PubChem (CID 56945246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).