N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine

C7H10N2 — CID 142434145

IUPACN-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESC=CC1=C(N=C)NCC1
InChIInChI=1S/C7H10N2/c1-3-6-4-5-9-7(6)8-2/h3,9H,1-2,4-5H2
InChIKeyXXHDVGVQCDRNKI-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.08
Rot. Bonds2

About N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine

N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (PubChem CID 142434145) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.

Molecular Properties

Compound NameN-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
PubChem CID142434145
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESC=CC1=C(N=C)NCC1
InChIInChI=1S/C7H10N2/c1-3-6-4-5-9-7(6)8-2/h3,9H,1-2,4-5H2
InChIKeyXXHDVGVQCDRNKI-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The IUPAC name of N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (CID 142434145) is N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.
What is the SMILES notation for N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The canonical SMILES for N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is C=CC1=C(N=C)NCC1.
What is the InChIKey of N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The InChIKey is XXHDVGVQCDRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6-4-5-9-7(6)8-2/h3,9H,1-2,4-5H2.
What are the key properties of N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine has a molecular weight of 122.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is sourced from PubChem (CID 142434145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).