[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol

C14H17NO — CID 44559649

IUPAC[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol
SMILESCC(C)=CCc1ccc2c(CO)c[nH]c2c1
InChIInChI=1S/C14H17NO/c1-10(2)3-4-11-5-6-13-12(9-16)8-15-14(13)7-11/h3,5-8,15-16H,4,9H2,1-2H3
InChIKeyREUSNXPKHWKIMR-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.17
Rot. Bonds3

About [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol

[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol (PubChem CID 44559649) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol.

Molecular Properties

Compound Name[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol
PubChem CID44559649
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol
SMILESCC(C)=CCc1ccc2c(CO)c[nH]c2c1
InChIInChI=1S/C14H17NO/c1-10(2)3-4-11-5-6-13-12(9-16)8-15-14(13)7-11/h3,5-8,15-16H,4,9H2,1-2H3
InChIKeyREUSNXPKHWKIMR-UHFFFAOYSA-N
XLogP3.17
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol?
The IUPAC name of [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol (CID 44559649) is [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol.
What is the SMILES notation for [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol?
The canonical SMILES for [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol is CC(C)=CCc1ccc2c(CO)c[nH]c2c1.
What is the InChIKey of [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol?
The InChIKey is REUSNXPKHWKIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)3-4-11-5-6-13-12(9-16)8-15-14(13)7-11/h3,5-8,15-16H,4,9H2,1-2H3.
What are the key properties of [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol?
[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol has a molecular weight of 215.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbut-2-enyl)-1H-indol-3-yl]methanol is sourced from PubChem (CID 44559649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).