2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate

C19H19NO3 — CID 139929930

IUPAC2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1COc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C19H19NO3/c1-2-19(21)22-11-10-20-13-17-12-16(8-9-18(17)23-14-20)15-6-4-3-5-7-15/h2-9,12H,1,10-11,13-14H2
InChIKeyWMFOQOHXLNTXTR-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.23
Rot. Bonds5

About 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate

2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate (PubChem CID 139929930) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate
PubChem CID139929930
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1COc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C19H19NO3/c1-2-19(21)22-11-10-20-13-17-12-16(8-9-18(17)23-14-20)15-6-4-3-5-7-15/h2-9,12H,1,10-11,13-14H2
InChIKeyWMFOQOHXLNTXTR-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate (CID 139929930) is 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1COc2ccc(-c3ccccc3)cc2C1.
What is the InChIKey of 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate?
The InChIKey is WMFOQOHXLNTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-19(21)22-11-10-20-13-17-12-16(8-9-18(17)23-14-20)15-6-4-3-5-7-15/h2-9,12H,1,10-11,13-14H2.
What are the key properties of 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate?
2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl prop-2-enoate is sourced from PubChem (CID 139929930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).