(5-ethenyl-1H-indol-3-yl)methanediol

C11H11NO2 — CID 91534909

IUPAC(5-ethenyl-1H-indol-3-yl)methanediol
SMILESC=Cc1ccc2[nH]cc(C(O)O)c2c1
InChIInChI=1S/C11H11NO2/c1-2-7-3-4-10-8(5-7)9(6-12-10)11(13)14/h2-6,11-14H,1H2
InChIKeyFEMBWBGIDUCUNX-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.79
Rot. Bonds2

About (5-ethenyl-1H-indol-3-yl)methanediol

(5-ethenyl-1H-indol-3-yl)methanediol (PubChem CID 91534909) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (5-ethenyl-1H-indol-3-yl)methanediol.

Molecular Properties

Compound Name(5-ethenyl-1H-indol-3-yl)methanediol
PubChem CID91534909
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(5-ethenyl-1H-indol-3-yl)methanediol
SMILESC=Cc1ccc2[nH]cc(C(O)O)c2c1
InChIInChI=1S/C11H11NO2/c1-2-7-3-4-10-8(5-7)9(6-12-10)11(13)14/h2-6,11-14H,1H2
InChIKeyFEMBWBGIDUCUNX-UHFFFAOYSA-N
XLogP1.79
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-1H-indol-3-yl)methanediol?
The IUPAC name of (5-ethenyl-1H-indol-3-yl)methanediol (CID 91534909) is (5-ethenyl-1H-indol-3-yl)methanediol.
What is the SMILES notation for (5-ethenyl-1H-indol-3-yl)methanediol?
The canonical SMILES for (5-ethenyl-1H-indol-3-yl)methanediol is C=Cc1ccc2[nH]cc(C(O)O)c2c1.
What is the InChIKey of (5-ethenyl-1H-indol-3-yl)methanediol?
The InChIKey is FEMBWBGIDUCUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-7-3-4-10-8(5-7)9(6-12-10)11(13)14/h2-6,11-14H,1H2.
What are the key properties of (5-ethenyl-1H-indol-3-yl)methanediol?
(5-ethenyl-1H-indol-3-yl)methanediol has a molecular weight of 189.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-1H-indol-3-yl)methanediol is sourced from PubChem (CID 91534909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).