2-phenyl-N-prop-2-enoxyethanimine

C11H13NO — CID 74318801

IUPAC2-phenyl-N-prop-2-enoxyethanimine
SMILESC=CCON=CCc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-10-13-12-9-8-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2
InChIKeyUHYAGJBGTVTALO-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.42
Rot. Bonds5

About 2-phenyl-N-prop-2-enoxyethanimine

2-phenyl-N-prop-2-enoxyethanimine (PubChem CID 74318801) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-phenyl-N-prop-2-enoxyethanimine.

Molecular Properties

Compound Name2-phenyl-N-prop-2-enoxyethanimine
PubChem CID74318801
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-phenyl-N-prop-2-enoxyethanimine
SMILESC=CCON=CCc1ccccc1
InChIInChI=1S/C11H13NO/c1-2-10-13-12-9-8-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2
InChIKeyUHYAGJBGTVTALO-UHFFFAOYSA-N
XLogP2.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.42
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-prop-2-enoxyethanimine?
The IUPAC name of 2-phenyl-N-prop-2-enoxyethanimine (CID 74318801) is 2-phenyl-N-prop-2-enoxyethanimine.
What is the SMILES notation for 2-phenyl-N-prop-2-enoxyethanimine?
The canonical SMILES for 2-phenyl-N-prop-2-enoxyethanimine is C=CCON=CCc1ccccc1.
What is the InChIKey of 2-phenyl-N-prop-2-enoxyethanimine?
The InChIKey is UHYAGJBGTVTALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-10-13-12-9-8-11-6-4-3-5-7-11/h2-7,9H,1,8,10H2.
What are the key properties of 2-phenyl-N-prop-2-enoxyethanimine?
2-phenyl-N-prop-2-enoxyethanimine has a molecular weight of 175.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-prop-2-enoxyethanimine is sourced from PubChem (CID 74318801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).