2-(6H-indol-3-yl)ethanimine

C10H10N2 — CID 11840987

IUPAC2-(6H-indol-3-yl)ethanimine
SMILES[H]/N=C/CC1=C2C=CCC=C2N=C1
InChIInChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1,3-4,6-7,11H,2,5H2/b11-6+
InChIKeyCIHULAYZSJFUBN-IZZDOVSWSA-N
MW158.20 g/mol
LogP2.25
Rot. Bonds2

About 2-(6H-indol-3-yl)ethanimine

2-(6H-indol-3-yl)ethanimine (PubChem CID 11840987) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(6H-indol-3-yl)ethanimine.

Molecular Properties

Compound Name2-(6H-indol-3-yl)ethanimine
PubChem CID11840987
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-(6H-indol-3-yl)ethanimine
SMILES[H]/N=C/CC1=C2C=CCC=C2N=C1
InChIInChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1,3-4,6-7,11H,2,5H2/b11-6+
InChIKeyCIHULAYZSJFUBN-IZZDOVSWSA-N
XLogP2.25
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
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 2-(6H-indol-3-yl)ethanimine?
The IUPAC name of 2-(6H-indol-3-yl)ethanimine (CID 11840987) is 2-(6H-indol-3-yl)ethanimine.
What is the SMILES notation for 2-(6H-indol-3-yl)ethanimine?
The canonical SMILES for 2-(6H-indol-3-yl)ethanimine is [H]/N=C/CC1=C2C=CCC=C2N=C1.
What is the InChIKey of 2-(6H-indol-3-yl)ethanimine?
The InChIKey is CIHULAYZSJFUBN-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1,3-4,6-7,11H,2,5H2/b11-6+.
What are the key properties of 2-(6H-indol-3-yl)ethanimine?
2-(6H-indol-3-yl)ethanimine has a molecular weight of 158.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6H-indol-3-yl)ethanimine is sourced from PubChem (CID 11840987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).