1-(1H-isoindol-1-yl)ethanimine

C10H10N2 — CID 170518680

IUPAC1-(1H-isoindol-1-yl)ethanimine
SMILES[H]/N=C(\C)C1N=Cc2ccccc21
InChIInChI=1S/C10H10N2/c1-7(11)10-9-5-3-2-4-8(9)6-12-10/h2-6,10-11H,1H3/b11-7+
InChIKeyDLUINHLRHZZIKN-YRNVUSSQSA-N
MW158.20 g/mol
LogP2.20
Rot. Bonds1

About 1-(1H-isoindol-1-yl)ethanimine

1-(1H-isoindol-1-yl)ethanimine (PubChem CID 170518680) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(1H-isoindol-1-yl)ethanimine.

Molecular Properties

Compound Name1-(1H-isoindol-1-yl)ethanimine
PubChem CID170518680
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-(1H-isoindol-1-yl)ethanimine
SMILES[H]/N=C(\C)C1N=Cc2ccccc21
InChIInChI=1S/C10H10N2/c1-7(11)10-9-5-3-2-4-8(9)6-12-10/h2-6,10-11H,1H3/b11-7+
InChIKeyDLUINHLRHZZIKN-YRNVUSSQSA-N
XLogP2.20
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.20
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 1-(1H-isoindol-1-yl)ethanimine?
The IUPAC name of 1-(1H-isoindol-1-yl)ethanimine (CID 170518680) is 1-(1H-isoindol-1-yl)ethanimine.
What is the SMILES notation for 1-(1H-isoindol-1-yl)ethanimine?
The canonical SMILES for 1-(1H-isoindol-1-yl)ethanimine is [H]/N=C(\C)C1N=Cc2ccccc21.
What is the InChIKey of 1-(1H-isoindol-1-yl)ethanimine?
The InChIKey is DLUINHLRHZZIKN-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H10N2/c1-7(11)10-9-5-3-2-4-8(9)6-12-10/h2-6,10-11H,1H3/b11-7+.
What are the key properties of 1-(1H-isoindol-1-yl)ethanimine?
1-(1H-isoindol-1-yl)ethanimine has a molecular weight of 158.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-isoindol-1-yl)ethanimine is sourced from PubChem (CID 170518680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).