N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine

C8H12N2 — CID 143795847

IUPACN-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine
SMILESC=CC1=C(N=C)CN(C)C1
InChIInChI=1S/C8H12N2/c1-4-7-5-10(3)6-8(7)9-2/h4H,1-2,5-6H2,3H3
InChIKeyKGUBWLHNRGOYBN-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.07
Rot. Bonds2

About N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine

N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine (PubChem CID 143795847) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine
PubChem CID143795847
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine
SMILESC=CC1=C(N=C)CN(C)C1
InChIInChI=1S/C8H12N2/c1-4-7-5-10(3)6-8(7)9-2/h4H,1-2,5-6H2,3H3
InChIKeyKGUBWLHNRGOYBN-UHFFFAOYSA-N
XLogP1.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.07
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-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine?
The IUPAC name of N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine (CID 143795847) is N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine is C=CC1=C(N=C)CN(C)C1.
What is the InChIKey of N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine?
The InChIKey is KGUBWLHNRGOYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7-5-10(3)6-8(7)9-2/h4H,1-2,5-6H2,3H3.
What are the key properties of N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine?
N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)methanimine is sourced from PubChem (CID 143795847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).