(2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine

C8H11NO — CID 143679233

IUPAC(2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine
SMILESC=C/C=C1/OCC/C1=N\C
InChIInChI=1S/C8H11NO/c1-3-4-8-7(9-2)5-6-10-8/h3-4H,1,5-6H2,2H3/b8-4+,9-7+
InChIKeyXHYBGQJFTRRBAM-QDJBHUIFSA-N
MW137.18 g/mol
LogP1.55
Rot. Bonds1

About (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine

(2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine (PubChem CID 143679233) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine.

Molecular Properties

Compound Name(2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine
PubChem CID143679233
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine
SMILESC=C/C=C1/OCC/C1=N\C
InChIInChI=1S/C8H11NO/c1-3-4-8-7(9-2)5-6-10-8/h3-4H,1,5-6H2,2H3/b8-4+,9-7+
InChIKeyXHYBGQJFTRRBAM-QDJBHUIFSA-N
XLogP1.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine?
The IUPAC name of (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine (CID 143679233) is (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine.
What is the SMILES notation for (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine?
The canonical SMILES for (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine is C=C/C=C1/OCC/C1=N\C.
What is the InChIKey of (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine?
The InChIKey is XHYBGQJFTRRBAM-QDJBHUIFSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-8-7(9-2)5-6-10-8/h3-4H,1,5-6H2,2H3/b8-4+,9-7+.
What are the key properties of (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine?
(2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine has a molecular weight of 137.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-prop-2-enylideneoxolan-3-imine is sourced from PubChem (CID 143679233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).