2-[(E)-2-phenylethenyl]oxirane

C10H10O — CID 10909705

IUPAC2-[(E)-2-phenylethenyl]oxirane
SMILESC(=C/C1CO1)\c1ccccc1
InChIInChI=1S/C10H10O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-7,10H,8H2/b7-6+
InChIKeyNGMWPIVXBOIIKF-VOTSOKGWSA-N
MW146.19 g/mol
LogP2.10
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]oxirane

2-[(E)-2-phenylethenyl]oxirane (PubChem CID 10909705) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]oxirane.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]oxirane
PubChem CID10909705
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name2-[(E)-2-phenylethenyl]oxirane
SMILESC(=C/C1CO1)\c1ccccc1
InChIInChI=1S/C10H10O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-7,10H,8H2/b7-6+
InChIKeyNGMWPIVXBOIIKF-VOTSOKGWSA-N
XLogP2.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(E)-2-phenylethenyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]oxirane?
The IUPAC name of 2-[(E)-2-phenylethenyl]oxirane (CID 10909705) is 2-[(E)-2-phenylethenyl]oxirane.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]oxirane?
The canonical SMILES for 2-[(E)-2-phenylethenyl]oxirane is C(=C/C1CO1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]oxirane?
The InChIKey is NGMWPIVXBOIIKF-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-7,10H,8H2/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]oxirane?
2-[(E)-2-phenylethenyl]oxirane has a molecular weight of 146.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]oxirane is sourced from PubChem (CID 10909705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).