(E)-4-(1-methylindol-3-yl)but-3-en-2-ol

C13H14NO- — CID 6852139

IUPAC(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
SMILESC[C-](O)/C=C/c1cn(C)c2ccccc12
InChIInChI=1S/C13H14NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9,15H,1-2H3/q-1/b8-7+
InChIKeyBPAGSTXLOWBLAR-BQYQJAHWSA-N
MW200.26 g/mol
LogP3.12
Rot. Bonds2

About (E)-4-(1-methylindol-3-yl)but-3-en-2-ol

(E)-4-(1-methylindol-3-yl)but-3-en-2-ol (PubChem CID 6852139) has the molecular formula C13H14NO- and a molecular weight of 200.26 g/mol. Its IUPAC name is (E)-4-(1-methylindol-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
PubChem CID6852139
Molecular FormulaC13H14NO-
Molecular Weight200.26 g/mol
Exact Mass200.11
IUPAC Name(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
SMILESC[C-](O)/C=C/c1cn(C)c2ccccc12
InChIInChI=1S/C13H14NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9,15H,1-2H3/q-1/b8-7+
InChIKeyBPAGSTXLOWBLAR-BQYQJAHWSA-N
XLogP3.12
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-methylindol-3-yl)but-3-en-2-ol?
The IUPAC name of (E)-4-(1-methylindol-3-yl)but-3-en-2-ol (CID 6852139) is (E)-4-(1-methylindol-3-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(1-methylindol-3-yl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(1-methylindol-3-yl)but-3-en-2-ol is C[C-](O)/C=C/c1cn(C)c2ccccc12.
What is the InChIKey of (E)-4-(1-methylindol-3-yl)but-3-en-2-ol?
The InChIKey is BPAGSTXLOWBLAR-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H14NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9,15H,1-2H3/q-1/b8-7+.
What are the key properties of (E)-4-(1-methylindol-3-yl)but-3-en-2-ol?
(E)-4-(1-methylindol-3-yl)but-3-en-2-ol has a molecular weight of 200.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-methylindol-3-yl)but-3-en-2-ol is sourced from PubChem (CID 6852139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).