3-(1H-indol-3-yl)oxiran-2-ol

C10H9NO2 — CID 123804780

IUPAC3-(1H-indol-3-yl)oxiran-2-ol
SMILESOC1OC1c1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c12-10-9(13-10)7-5-11-8-4-2-1-3-6(7)8/h1-5,9-12H
InChIKeyMPQLMGGIUPWMIX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.56
Rot. Bonds1

About 3-(1H-indol-3-yl)oxiran-2-ol

3-(1H-indol-3-yl)oxiran-2-ol (PubChem CID 123804780) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)oxiran-2-ol.

Molecular Properties

Compound Name3-(1H-indol-3-yl)oxiran-2-ol
PubChem CID123804780
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-(1H-indol-3-yl)oxiran-2-ol
SMILESOC1OC1c1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c12-10-9(13-10)7-5-11-8-4-2-1-3-6(7)8/h1-5,9-12H
InChIKeyMPQLMGGIUPWMIX-UHFFFAOYSA-N
XLogP1.56
TPSA48.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol
CID 15353207
(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol
CID 69217007
3-(oxolan-3-yl)-1H-indole
CID 146673552
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
3-(oxan-2-yl)-1H-indole
CID 174577844
(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
CID 36690022
methane;3-piperidin-4-yl-1H-indole
CID 70444570
2-ethyl-5-(1H-indol-3-yl)-2,5-dihydro-1,3-oxazole
CID 123370027
3-(4H-chromen-4-yl)-1H-indole
CID 91355183
3-(6-fluoropiperidin-2-yl)-1H-indole
CID 154427287

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)oxiran-2-ol?
The IUPAC name of 3-(1H-indol-3-yl)oxiran-2-ol (CID 123804780) is 3-(1H-indol-3-yl)oxiran-2-ol.
What is the SMILES notation for 3-(1H-indol-3-yl)oxiran-2-ol?
The canonical SMILES for 3-(1H-indol-3-yl)oxiran-2-ol is OC1OC1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)oxiran-2-ol?
The InChIKey is MPQLMGGIUPWMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-9(13-10)7-5-11-8-4-2-1-3-6(7)8/h1-5,9-12H.
What are the key properties of 3-(1H-indol-3-yl)oxiran-2-ol?
3-(1H-indol-3-yl)oxiran-2-ol has a molecular weight of 175.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)oxiran-2-ol is sourced from PubChem (CID 123804780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).