(E)-N-indol-1-ylethanimine

C10H10N2 — CID 12023372

IUPAC(E)-N-indol-1-ylethanimine
SMILESC/C=N/n1ccc2ccccc21
InChIInChI=1S/C10H10N2/c1-2-11-12-8-7-9-5-3-4-6-10(9)12/h2-8H,1H3/b11-2+
InChIKeyYLKWTPAHFLRDND-BIIKFXOESA-N
MW158.20 g/mol
LogP2.50
Rot. Bonds1

About (E)-N-indol-1-ylethanimine

(E)-N-indol-1-ylethanimine (PubChem CID 12023372) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-N-indol-1-ylethanimine.

Molecular Properties

Compound Name(E)-N-indol-1-ylethanimine
PubChem CID12023372
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name(E)-N-indol-1-ylethanimine
SMILESC/C=N/n1ccc2ccccc21
InChIInChI=1S/C10H10N2/c1-2-11-12-8-7-9-5-3-4-6-10(9)12/h2-8H,1H3/b11-2+
InChIKeyYLKWTPAHFLRDND-BIIKFXOESA-N
XLogP2.50
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-indol-1-ylethanimine?
The IUPAC name of (E)-N-indol-1-ylethanimine (CID 12023372) is (E)-N-indol-1-ylethanimine.
What is the SMILES notation for (E)-N-indol-1-ylethanimine?
The canonical SMILES for (E)-N-indol-1-ylethanimine is C/C=N/n1ccc2ccccc21.
What is the InChIKey of (E)-N-indol-1-ylethanimine?
The InChIKey is YLKWTPAHFLRDND-BIIKFXOESA-N. The full InChI is InChI=1S/C10H10N2/c1-2-11-12-8-7-9-5-3-4-6-10(9)12/h2-8H,1H3/b11-2+.
What are the key properties of (E)-N-indol-1-ylethanimine?
(E)-N-indol-1-ylethanimine has a molecular weight of 158.20 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-indol-1-ylethanimine is sourced from PubChem (CID 12023372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).