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

C11H11NO — CID 141031189

IUPAC3-prop-2-enyl-1H-indol-2-ol
SMILESC=CCc1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H11NO/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13/h2-4,6-7,12-13H,1,5H2
InChIKeyQEAAKKDNVAREIE-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.60
Rot. Bonds2

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

3-prop-2-enyl-1H-indol-2-ol (PubChem CID 141031189) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-prop-2-enyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-prop-2-enyl-1H-indol-2-ol
PubChem CID141031189
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-prop-2-enyl-1H-indol-2-ol
SMILESC=CCc1c(O)[nH]c2ccccc12
InChIInChI=1S/C11H11NO/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13/h2-4,6-7,12-13H,1,5H2
InChIKeyQEAAKKDNVAREIE-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-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
CID 11959861
3-amino-4-prop-2-enyl-1H-quinolin-2-one
CID 67155739
3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid
CID 90973534
(2-oxo-3-prop-2-enyl-1H-quinolin-4-yl) acetate
CID 110273113
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786
4-prop-2-enyl-1H-indole-2,3-diol
CID 70274505
2-(3-hydroxy-2-oxo-1H-quinolin-4-yl)-N-prop-2-enylacetamide
CID 23857616
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
CID 86024266
CID 131863122
CID 131863122
3-benzyl-1-prop-2-enylnaphthalen-2-ol
CID 164665597
9H-carbazole
CID 66668984
9H-carbazole;prop-2-enamide
CID 174545742

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1H-indol-2-ol?
The IUPAC name of 3-prop-2-enyl-1H-indol-2-ol (CID 141031189) is 3-prop-2-enyl-1H-indol-2-ol.
What is the SMILES notation for 3-prop-2-enyl-1H-indol-2-ol?
The canonical SMILES for 3-prop-2-enyl-1H-indol-2-ol is C=CCc1c(O)[nH]c2ccccc12.
What is the InChIKey of 3-prop-2-enyl-1H-indol-2-ol?
The InChIKey is QEAAKKDNVAREIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13/h2-4,6-7,12-13H,1,5H2.
What are the key properties of 3-prop-2-enyl-1H-indol-2-ol?
3-prop-2-enyl-1H-indol-2-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-2-ol is sourced from PubChem (CID 141031189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).