N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine

C8H10N2 — CID 130428866

IUPACN-(4-ethenyl-1H-pyrrol-3-yl)ethanimine
SMILESC=Cc1c[nH]cc1/N=C/C
InChIInChI=1S/C8H10N2/c1-3-7-5-9-6-8(7)10-4-2/h3-6,9H,1H2,2H3/b10-4+
InChIKeyPDVJVLLHVNYABO-ONNFQVAWSA-N
MW134.18 g/mol
LogP2.38
Rot. Bonds2

About N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine

N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine (PubChem CID 130428866) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine.

Molecular Properties

Compound NameN-(4-ethenyl-1H-pyrrol-3-yl)ethanimine
PubChem CID130428866
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-(4-ethenyl-1H-pyrrol-3-yl)ethanimine
SMILESC=Cc1c[nH]cc1/N=C/C
InChIInChI=1S/C8H10N2/c1-3-7-5-9-6-8(7)10-4-2/h3-6,9H,1H2,2H3/b10-4+
InChIKeyPDVJVLLHVNYABO-ONNFQVAWSA-N
XLogP2.38
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-ethenyl-1H-pyrrol-3-yl)ethanimine?
The IUPAC name of N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine (CID 130428866) is N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine.
What is the SMILES notation for N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine?
The canonical SMILES for N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine is C=Cc1c[nH]cc1/N=C/C.
What is the InChIKey of N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine?
The InChIKey is PDVJVLLHVNYABO-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7-5-9-6-8(7)10-4-2/h3-6,9H,1H2,2H3/b10-4+.
What are the key properties of N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine?
N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine has a molecular weight of 134.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine is sourced from PubChem (CID 130428866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).