3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine

C24H19NO — CID 175220160

IUPAC3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine
SMILESC=CCC1=C(c2cccc3c2Cc2ccccc2-3)NOc2ccccc21
InChIInChI=1S/C24H19NO/c1-2-8-20-19-11-5-6-14-23(19)26-25-24(20)21-13-7-12-18-17-10-4-3-9-16(17)15-22(18)21/h2-7,9-14,25H,1,8,15H2
InChIKeyVIIKYNVOKSGKRX-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.60
Rot. Bonds3

About 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine

3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine (PubChem CID 175220160) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine
PubChem CID175220160
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine
SMILESC=CCC1=C(c2cccc3c2Cc2ccccc2-3)NOc2ccccc21
InChIInChI=1S/C24H19NO/c1-2-8-20-19-11-5-6-14-23(19)26-25-24(20)21-13-7-12-18-17-10-4-3-9-16(17)15-22(18)21/h2-7,9-14,25H,1,8,15H2
InChIKeyVIIKYNVOKSGKRX-UHFFFAOYSA-N
XLogP5.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine?
The IUPAC name of 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine (CID 175220160) is 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine.
What is the SMILES notation for 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine?
The canonical SMILES for 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine is C=CCC1=C(c2cccc3c2Cc2ccccc2-3)NOc2ccccc21.
What is the InChIKey of 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine?
The InChIKey is VIIKYNVOKSGKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-2-8-20-19-11-5-6-14-23(19)26-25-24(20)21-13-7-12-18-17-10-4-3-9-16(17)15-22(18)21/h2-7,9-14,25H,1,8,15H2.
What are the key properties of 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine?
3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine has a molecular weight of 337.42 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-yl)-4-prop-2-enyl-2H-1,2-benzoxazine is sourced from PubChem (CID 175220160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).