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

C19H22N2O2 — CID 71575014

IUPAC[1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
SMILESCCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1C)C2
InChIInChI=1S/C19H22N2O2/c1-3-16-14(10-22)15(11-23)18-8-13-12-6-4-5-7-17(12)20(2)19(13)9-21(16)18/h4-7,22-23H,3,8-11H2,1-2H3
InChIKeyMDIFAFOXEZRNAX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.48
Rot. Bonds3

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

[1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol (PubChem CID 71575014) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
PubChem CID71575014
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
SMILESCCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1C)C2
InChIInChI=1S/C19H22N2O2/c1-3-16-14(10-22)15(11-23)18-8-13-12-6-4-5-7-17(12)20(2)19(13)9-21(16)18/h4-7,22-23H,3,8-11H2,1-2H3
InChIKeyMDIFAFOXEZRNAX-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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 9817415
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CID 25256747
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CID 42597446
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CID 42597447
CID 42597447
CID 42597448
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CID 42599120
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CID 42599377
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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
The IUPAC name of [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol (CID 71575014) is [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol.
What is the SMILES notation for [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
The canonical SMILES for [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol is CCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1C)C2.
What is the InChIKey of [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
The InChIKey is MDIFAFOXEZRNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-16-14(10-22)15(11-23)18-8-13-12-6-4-5-7-17(12)20(2)19(13)9-21(16)18/h4-7,22-23H,3,8-11H2,1-2H3.
What are the key properties of [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol?
[1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol has a molecular weight of 310.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol is sourced from PubChem (CID 71575014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).