1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol

C13H15NO — CID 10631907

IUPAC1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
SMILESC=CC(C)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H15NO/c1-3-9(2)13(15)11-8-14-12-7-5-4-6-10(11)12/h3-9,13-15H,1H2,2H3
InChIKeyDBLKYHQBMWZOGJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.02
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol

1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol (PubChem CID 10631907) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
PubChem CID10631907
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
SMILESC=CC(C)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H15NO/c1-3-9(2)13(15)11-8-14-12-7-5-4-6-10(11)12/h3-9,13-15H,1H2,2H3
InChIKeyDBLKYHQBMWZOGJ-UHFFFAOYSA-N
XLogP3.02
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.02
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

(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-propan-2-yl-1H-indole
CID 12534824
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
CID 102097534
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium
CID 7308487
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol?
The IUPAC name of 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol (CID 10631907) is 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol?
The canonical SMILES for 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol is C=CC(C)C(O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol?
The InChIKey is DBLKYHQBMWZOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-9(2)13(15)11-8-14-12-7-5-4-6-10(11)12/h3-9,13-15H,1H2,2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol?
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol has a molecular weight of 201.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 10631907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).