N-(1-ethenylpyrrol-2-yl)methanimine

C7H8N2 — CID 142433959

IUPACN-(1-ethenylpyrrol-2-yl)methanimine
SMILESC=Cn1cccc1N=C
InChIInChI=1S/C7H8N2/c1-3-9-6-4-5-7(9)8-2/h3-6H,1-2H2
InChIKeyXOYVDCQOCCSZFY-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.92
Rot. Bonds2

About N-(1-ethenylpyrrol-2-yl)methanimine

N-(1-ethenylpyrrol-2-yl)methanimine (PubChem CID 142433959) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-(1-ethenylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(1-ethenylpyrrol-2-yl)methanimine
PubChem CID142433959
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC NameN-(1-ethenylpyrrol-2-yl)methanimine
SMILESC=Cn1cccc1N=C
InChIInChI=1S/C7H8N2/c1-3-9-6-4-5-7(9)8-2/h3-6H,1-2H2
InChIKeyXOYVDCQOCCSZFY-UHFFFAOYSA-N
XLogP1.92
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.92
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-(1-ethenylpyrrol-2-yl)methanimine?
The IUPAC name of N-(1-ethenylpyrrol-2-yl)methanimine (CID 142433959) is N-(1-ethenylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(1-ethenylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(1-ethenylpyrrol-2-yl)methanimine is C=Cn1cccc1N=C.
What is the InChIKey of N-(1-ethenylpyrrol-2-yl)methanimine?
The InChIKey is XOYVDCQOCCSZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-9-6-4-5-7(9)8-2/h3-6H,1-2H2.
What are the key properties of N-(1-ethenylpyrrol-2-yl)methanimine?
N-(1-ethenylpyrrol-2-yl)methanimine has a molecular weight of 120.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylpyrrol-2-yl)methanimine is sourced from PubChem (CID 142433959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).