2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine

C17H17NO — CID 175023951

IUPAC2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine
SMILESC=CCN1Cc2ccccc2OC1c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-12-18-13-15-10-6-7-11-16(15)19-17(18)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2
InChIKeyGSPPFIOLMHWHAM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.77
Rot. Bonds3

About 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine

2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 175023951) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine
PubChem CID175023951
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine
SMILESC=CCN1Cc2ccccc2OC1c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-12-18-13-15-10-6-7-11-16(15)19-17(18)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2
InChIKeyGSPPFIOLMHWHAM-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine (CID 175023951) is 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine is C=CCN1Cc2ccccc2OC1c1ccccc1.
What is the InChIKey of 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is GSPPFIOLMHWHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-12-18-13-15-10-6-7-11-16(15)19-17(18)14-8-4-3-5-9-14/h2-11,17H,1,12-13H2.
What are the key properties of 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine?
2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 251.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-prop-2-enyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 175023951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).