3-prop-2-enyl-1H-indol-5-ol

C11H11NO — CID 24746176

IUPAC3-prop-2-enyl-1H-indol-5-ol
SMILESC=CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C11H11NO/c1-2-3-8-7-12-11-5-4-9(13)6-10(8)11/h2,4-7,12-13H,1,3H2
InChIKeyLQIBEHFRVZDIRE-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.60
Rot. Bonds2

About 3-prop-2-enyl-1H-indol-5-ol

3-prop-2-enyl-1H-indol-5-ol (PubChem CID 24746176) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-prop-2-enyl-1H-indol-5-ol.

Molecular Properties

Compound Name3-prop-2-enyl-1H-indol-5-ol
PubChem CID24746176
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-prop-2-enyl-1H-indol-5-ol
SMILESC=CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C11H11NO/c1-2-3-8-7-12-11-5-4-9(13)6-10(8)11/h2,4-7,12-13H,1,3H2
InChIKeyLQIBEHFRVZDIRE-UHFFFAOYSA-N
XLogP2.60
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol
CID 170711150
3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
CID 123400921
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
4-bromo-3-prop-2-enylphenol
CID 59860912

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1H-indol-5-ol?
The IUPAC name of 3-prop-2-enyl-1H-indol-5-ol (CID 24746176) is 3-prop-2-enyl-1H-indol-5-ol.
What is the SMILES notation for 3-prop-2-enyl-1H-indol-5-ol?
The canonical SMILES for 3-prop-2-enyl-1H-indol-5-ol is C=CCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-prop-2-enyl-1H-indol-5-ol?
The InChIKey is LQIBEHFRVZDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-3-8-7-12-11-5-4-9(13)6-10(8)11/h2,4-7,12-13H,1,3H2.
What are the key properties of 3-prop-2-enyl-1H-indol-5-ol?
3-prop-2-enyl-1H-indol-5-ol has a molecular weight of 173.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1H-indol-5-ol is sourced from PubChem (CID 24746176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).