N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine

C8H11NO — CID 169264039

IUPACN-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine
SMILESC=CC1=C(N=C)CCOC1
InChIInChI=1S/C8H11NO/c1-3-7-6-10-5-4-8(7)9-2/h3H,1-2,4-6H2
InChIKeyCLFZOTNNVYHQGU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.55
Rot. Bonds2

About N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine

N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine (PubChem CID 169264039) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine
PubChem CID169264039
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine
SMILESC=CC1=C(N=C)CCOC1
InChIInChI=1S/C8H11NO/c1-3-7-6-10-5-4-8(7)9-2/h3H,1-2,4-6H2
InChIKeyCLFZOTNNVYHQGU-UHFFFAOYSA-N
XLogP1.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.55
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-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine?
The IUPAC name of N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine (CID 169264039) is N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine.
What is the SMILES notation for N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine?
The canonical SMILES for N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine is C=CC1=C(N=C)CCOC1.
What is the InChIKey of N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine?
The InChIKey is CLFZOTNNVYHQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-7-6-10-5-4-8(7)9-2/h3H,1-2,4-6H2.
What are the key properties of N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine?
N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine has a molecular weight of 137.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)methanimine is sourced from PubChem (CID 169264039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).