(E)-1-phenyl-N-prop-2-ynoxyethanimine

C11H11NO — CID 6113693

IUPAC(E)-1-phenyl-N-prop-2-ynoxyethanimine
SMILESC#CCO/N=C(\C)c1ccccc1
InChIInChI=1S/C11H11NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h1,4-8H,9H2,2H3/b12-10+
InChIKeyBEBHXERKIZQLDB-ZRDIBKRKSA-N
MW173.21 g/mol
LogP2.06
Rot. Bonds3

About (E)-1-phenyl-N-prop-2-ynoxyethanimine

(E)-1-phenyl-N-prop-2-ynoxyethanimine (PubChem CID 6113693) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (E)-1-phenyl-N-prop-2-ynoxyethanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-prop-2-ynoxyethanimine
PubChem CID6113693
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(E)-1-phenyl-N-prop-2-ynoxyethanimine
SMILESC#CCO/N=C(\C)c1ccccc1
InChIInChI=1S/C11H11NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h1,4-8H,9H2,2H3/b12-10+
InChIKeyBEBHXERKIZQLDB-ZRDIBKRKSA-N
XLogP2.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-prop-2-ynoxyethanimine?
The IUPAC name of (E)-1-phenyl-N-prop-2-ynoxyethanimine (CID 6113693) is (E)-1-phenyl-N-prop-2-ynoxyethanimine.
What is the SMILES notation for (E)-1-phenyl-N-prop-2-ynoxyethanimine?
The canonical SMILES for (E)-1-phenyl-N-prop-2-ynoxyethanimine is C#CCO/N=C(\C)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-N-prop-2-ynoxyethanimine?
The InChIKey is BEBHXERKIZQLDB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-9-13-12-10(2)11-7-5-4-6-8-11/h1,4-8H,9H2,2H3/b12-10+.
What are the key properties of (E)-1-phenyl-N-prop-2-ynoxyethanimine?
(E)-1-phenyl-N-prop-2-ynoxyethanimine has a molecular weight of 173.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-prop-2-ynoxyethanimine is sourced from PubChem (CID 6113693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).