4-prop-2-enyl-1H-indole-2,3-diol

C11H11NO2 — CID 70274505

IUPAC4-prop-2-enyl-1H-indole-2,3-diol
SMILESC=CCc1cccc2[nH]c(O)c(O)c12
InChIInChI=1S/C11H11NO2/c1-2-4-7-5-3-6-8-9(7)10(13)11(14)12-8/h2-3,5-6,12-14H,1,4H2
InChIKeyVXJHOFZHPMJVEZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.31
Rot. Bonds2

About 4-prop-2-enyl-1H-indole-2,3-diol

4-prop-2-enyl-1H-indole-2,3-diol (PubChem CID 70274505) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-prop-2-enyl-1H-indole-2,3-diol.

Molecular Properties

Compound Name4-prop-2-enyl-1H-indole-2,3-diol
PubChem CID70274505
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-prop-2-enyl-1H-indole-2,3-diol
SMILESC=CCc1cccc2[nH]c(O)c(O)c12
InChIInChI=1S/C11H11NO2/c1-2-4-7-5-3-6-8-9(7)10(13)11(14)12-8/h2-3,5-6,12-14H,1,4H2
InChIKeyVXJHOFZHPMJVEZ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66897302
3-prop-2-enyl-1H-indol-2-ol
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CID 70357054
4-prop-2-enyl-1H-benzimidazole-2-sulfonic acid
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5-prop-2-enylnaphthalen-1-ol
CID 139534699
2-[(Z)-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136912023
2-[[(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 2279280
2-cyclopropyl-6-prop-2-enylphenol
CID 15271682
boric acid;2-prop-2-enylphenol
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3-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-9-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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CID 22672183

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1H-indole-2,3-diol?
The IUPAC name of 4-prop-2-enyl-1H-indole-2,3-diol (CID 70274505) is 4-prop-2-enyl-1H-indole-2,3-diol.
What is the SMILES notation for 4-prop-2-enyl-1H-indole-2,3-diol?
The canonical SMILES for 4-prop-2-enyl-1H-indole-2,3-diol is C=CCc1cccc2[nH]c(O)c(O)c12.
What is the InChIKey of 4-prop-2-enyl-1H-indole-2,3-diol?
The InChIKey is VXJHOFZHPMJVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-4-7-5-3-6-8-9(7)10(13)11(14)12-8/h2-3,5-6,12-14H,1,4H2.
What are the key properties of 4-prop-2-enyl-1H-indole-2,3-diol?
4-prop-2-enyl-1H-indole-2,3-diol has a molecular weight of 189.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1H-indole-2,3-diol is sourced from PubChem (CID 70274505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).