2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one

C26H24N2O3 — CID 154723158

IUPAC2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
SMILESC/C=C(\C)N1OCC(=O)N(OCc2ccccc2)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H24N2O3/c1-3-19(2)27-26(23-15-9-7-13-21(23)22-14-8-10-16-24(22)26)28(25(29)18-31-27)30-17-20-11-5-4-6-12-20/h3-16H,17-18H2,1-2H3/b19-3+
InChIKeyOVXLPDDXIYSJKJ-QBROUFQSSA-N
MW412.49 g/mol
LogP5.00
Rot. Bonds4

About 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one

2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one (PubChem CID 154723158) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
PubChem CID154723158
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
SMILESC/C=C(\C)N1OCC(=O)N(OCc2ccccc2)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H24N2O3/c1-3-19(2)27-26(23-15-9-7-13-21(23)22-14-8-10-16-24(22)26)28(25(29)18-31-27)30-17-20-11-5-4-6-12-20/h3-16H,17-18H2,1-2H3/b19-3+
InChIKeyOVXLPDDXIYSJKJ-QBROUFQSSA-N
XLogP5.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one with MolForge

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Related Compounds

2',7'-dibromo-2-[(E)-but-2-en-2-yl]-6,6-dimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723155
2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723152
4-benzyl-2-[(E)-but-2-en-2-yl]-6,6-dimethylspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723160
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
9b-(3-methylbut-2-enyl)-1-phenylmethoxy-2-propan-2-yl-2H-benzo[e][1,3]benzoxazol-5-one
CID 68842099
(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
CID 57067292
2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
CID 154722316
benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate
CID 14399672
benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 59433376
(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one
CID 139095446
6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
CID 101450898

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one (CID 154723158) is 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one is C/C=C(\C)N1OCC(=O)N(OCc2ccccc2)C12c1ccccc1-c1ccccc12.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
The InChIKey is OVXLPDDXIYSJKJ-QBROUFQSSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-19(2)27-26(23-15-9-7-13-21(23)22-14-8-10-16-24(22)26)28(25(29)18-31-27)30-17-20-11-5-4-6-12-20/h3-16H,17-18H2,1-2H3/b19-3+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one has a molecular weight of 412.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one is sourced from PubChem (CID 154723158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).