N-(2-prop-1-en-2-yloxyethyl)methanimine

C6H11NO — CID 143803498

IUPACN-(2-prop-1-en-2-yloxyethyl)methanimine
SMILESC=NCCOC(=C)C
InChIInChI=1S/C6H11NO/c1-6(2)8-5-4-7-3/h1,3-5H2,2H3
InChIKeyZZDWVCSXGDZEQJ-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.24
Rot. Bonds4

About N-(2-prop-1-en-2-yloxyethyl)methanimine

N-(2-prop-1-en-2-yloxyethyl)methanimine (PubChem CID 143803498) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-(2-prop-1-en-2-yloxyethyl)methanimine.

Molecular Properties

Compound NameN-(2-prop-1-en-2-yloxyethyl)methanimine
PubChem CID143803498
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-(2-prop-1-en-2-yloxyethyl)methanimine
SMILESC=NCCOC(=C)C
InChIInChI=1S/C6H11NO/c1-6(2)8-5-4-7-3/h1,3-5H2,2H3
InChIKeyZZDWVCSXGDZEQJ-UHFFFAOYSA-N
XLogP1.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-1-en-2-yloxyethyl)methanimine?
The IUPAC name of N-(2-prop-1-en-2-yloxyethyl)methanimine (CID 143803498) is N-(2-prop-1-en-2-yloxyethyl)methanimine.
What is the SMILES notation for N-(2-prop-1-en-2-yloxyethyl)methanimine?
The canonical SMILES for N-(2-prop-1-en-2-yloxyethyl)methanimine is C=NCCOC(=C)C.
What is the InChIKey of N-(2-prop-1-en-2-yloxyethyl)methanimine?
The InChIKey is ZZDWVCSXGDZEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)8-5-4-7-3/h1,3-5H2,2H3.
What are the key properties of N-(2-prop-1-en-2-yloxyethyl)methanimine?
N-(2-prop-1-en-2-yloxyethyl)methanimine has a molecular weight of 113.16 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-1-en-2-yloxyethyl)methanimine is sourced from PubChem (CID 143803498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).