[1-[(E)-but-2-enyl]indol-5-yl]methanol

C13H15NO — CID 102912660

IUPAC[1-[(E)-but-2-enyl]indol-5-yl]methanol
SMILESC/C=C/Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H15NO/c1-2-3-7-14-8-6-12-9-11(10-15)4-5-13(12)14/h2-6,8-9,15H,7,10H2,1H3/b3-2+
InChIKeyXZQQOFYTUWQWEE-NSCUHMNNSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds3

About [1-[(E)-but-2-enyl]indol-5-yl]methanol

[1-[(E)-but-2-enyl]indol-5-yl]methanol (PubChem CID 102912660) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is [1-[(E)-but-2-enyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-but-2-enyl]indol-5-yl]methanol
PubChem CID102912660
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name[1-[(E)-but-2-enyl]indol-5-yl]methanol
SMILESC/C=C/Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H15NO/c1-2-3-7-14-8-6-12-9-11(10-15)4-5-13(12)14/h2-6,8-9,15H,7,10H2,1H3/b3-2+
InChIKeyXZQQOFYTUWQWEE-NSCUHMNNSA-N
XLogP2.71
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [1-[(E)-but-2-enyl]indol-5-yl]methanol?
The IUPAC name of [1-[(E)-but-2-enyl]indol-5-yl]methanol (CID 102912660) is [1-[(E)-but-2-enyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(E)-but-2-enyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(E)-but-2-enyl]indol-5-yl]methanol is C/C=C/Cn1ccc2cc(CO)ccc21.
What is the InChIKey of [1-[(E)-but-2-enyl]indol-5-yl]methanol?
The InChIKey is XZQQOFYTUWQWEE-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-7-14-8-6-12-9-11(10-15)4-5-13(12)14/h2-6,8-9,15H,7,10H2,1H3/b3-2+.
What are the key properties of [1-[(E)-but-2-enyl]indol-5-yl]methanol?
[1-[(E)-but-2-enyl]indol-5-yl]methanol has a molecular weight of 201.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-but-2-enyl]indol-5-yl]methanol is sourced from PubChem (CID 102912660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).