N-indol-1-ylprop-2-en-1-imine

C11H10N2 — CID 68636650

IUPACN-indol-1-ylprop-2-en-1-imine
SMILESC=CC=Nn1ccc2ccccc21
InChIInChI=1S/C11H10N2/c1-2-8-12-13-9-7-10-5-3-4-6-11(10)13/h2-9H,1H2
InChIKeyTVIHNURYPXUWKK-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.66
Rot. Bonds2

About N-indol-1-ylprop-2-en-1-imine

N-indol-1-ylprop-2-en-1-imine (PubChem CID 68636650) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-indol-1-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-indol-1-ylprop-2-en-1-imine
PubChem CID68636650
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC NameN-indol-1-ylprop-2-en-1-imine
SMILESC=CC=Nn1ccc2ccccc21
InChIInChI=1S/C11H10N2/c1-2-8-12-13-9-7-10-5-3-4-6-11(10)13/h2-9H,1H2
InChIKeyTVIHNURYPXUWKK-UHFFFAOYSA-N
XLogP2.66
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.66
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 N-indol-1-ylprop-2-en-1-imine?
The IUPAC name of N-indol-1-ylprop-2-en-1-imine (CID 68636650) is N-indol-1-ylprop-2-en-1-imine.
What is the SMILES notation for N-indol-1-ylprop-2-en-1-imine?
The canonical SMILES for N-indol-1-ylprop-2-en-1-imine is C=CC=Nn1ccc2ccccc21.
What is the InChIKey of N-indol-1-ylprop-2-en-1-imine?
The InChIKey is TVIHNURYPXUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-8-12-13-9-7-10-5-3-4-6-11(10)13/h2-9H,1H2.
What are the key properties of N-indol-1-ylprop-2-en-1-imine?
N-indol-1-ylprop-2-en-1-imine has a molecular weight of 170.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-indol-1-ylprop-2-en-1-imine is sourced from PubChem (CID 68636650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).