3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol

C18H16N2O2 — CID 57154341

IUPAC3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol
SMILESOCc1ccc2[nH]cc(C=C3c4ccccc4NC3O)c2c1
InChIInChI=1S/C18H16N2O2/c21-10-11-5-6-16-14(7-11)12(9-19-16)8-15-13-3-1-2-4-17(13)20-18(15)22/h1-9,18-22H,10H2
InChIKeyLAPSALZZKWGUEU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.94
Rot. Bonds2

About 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol

3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol (PubChem CID 57154341) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol.

Molecular Properties

Compound Name3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol
PubChem CID57154341
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol
SMILESOCc1ccc2[nH]cc(C=C3c4ccccc4NC3O)c2c1
InChIInChI=1S/C18H16N2O2/c21-10-11-5-6-16-14(7-11)12(9-19-16)8-15-13-3-1-2-4-17(13)20-18(15)22/h1-9,18-22H,10H2
InChIKeyLAPSALZZKWGUEU-UHFFFAOYSA-N
XLogP2.94
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-1,2-dihydroindol-3-ylidene)methyl]-1H-indole-5-sulfonamide
CID 57049792
3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylidene)-1,2-dihydroindol-2-ol
CID 57318643
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 11164464
3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 69455728
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 2356796
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
(3Z)-3-(1,3-thiazol-4-ylmethylidene)-1,2-dihydroindol-2-ol
CID 140977899
[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
CID 168731366
5-(2,2,2-trifluoroethyl)-1H-indole-3-carbaldehyde
CID 96602958
5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol?
The IUPAC name of 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol (CID 57154341) is 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol.
What is the SMILES notation for 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol?
The canonical SMILES for 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol is OCc1ccc2[nH]cc(C=C3c4ccccc4NC3O)c2c1.
What is the InChIKey of 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol?
The InChIKey is LAPSALZZKWGUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-10-11-5-6-16-14(7-11)12(9-19-16)8-15-13-3-1-2-4-17(13)20-18(15)22/h1-9,18-22H,10H2.
What are the key properties of 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol?
3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol has a molecular weight of 292.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(hydroxymethyl)-1H-indol-3-yl]methylidene]-1,2-dihydroindol-2-ol is sourced from PubChem (CID 57154341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).