N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine

C9H12N2 — CID 143274970

IUPACN-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine
SMILESC=CC1=C(N=C)C=CCN1C
InChIInChI=1S/C9H12N2/c1-4-9-8(10-2)6-5-7-11(9)3/h4-6H,1-2,7H2,3H3
InChIKeyXZSSWONFXGDVGO-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.59
Rot. Bonds2

About N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine

N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine (PubChem CID 143274970) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine.

Molecular Properties

Compound NameN-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine
PubChem CID143274970
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine
SMILESC=CC1=C(N=C)C=CCN1C
InChIInChI=1S/C9H12N2/c1-4-9-8(10-2)6-5-7-11(9)3/h4-6H,1-2,7H2,3H3
InChIKeyXZSSWONFXGDVGO-UHFFFAOYSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.59
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-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine?
The IUPAC name of N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine (CID 143274970) is N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine.
What is the SMILES notation for N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine?
The canonical SMILES for N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine is C=CC1=C(N=C)C=CCN1C.
What is the InChIKey of N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine?
The InChIKey is XZSSWONFXGDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-9-8(10-2)6-5-7-11(9)3/h4-6H,1-2,7H2,3H3.
What are the key properties of N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine?
N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine has a molecular weight of 148.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethenyl-1-methyl-2H-pyridin-5-yl)methanimine is sourced from PubChem (CID 143274970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).