7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]

C20H21FN2O — CID 139438567

IUPAC7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]
SMILESC=C1NC2(CC2)COc2ncc(-c3cc(F)ccc3CCC)cc21
InChIInChI=1S/C20H21FN2O/c1-3-4-14-5-6-16(21)10-18(14)15-9-17-13(2)23-20(7-8-20)12-24-19(17)22-11-15/h5-6,9-11,23H,2-4,7-8,12H2,1H3
InChIKeyAOBCFGYYYMTJJD-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.33
Rot. Bonds3

About 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]

7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane] (PubChem CID 139438567) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane].

Molecular Properties

Compound Name7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]
PubChem CID139438567
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]
SMILESC=C1NC2(CC2)COc2ncc(-c3cc(F)ccc3CCC)cc21
InChIInChI=1S/C20H21FN2O/c1-3-4-14-5-6-16(21)10-18(14)15-9-17-13(2)23-20(7-8-20)12-24-19(17)22-11-15/h5-6,9-11,23H,2-4,7-8,12H2,1H3
InChIKeyAOBCFGYYYMTJJD-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]?
The IUPAC name of 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane] (CID 139438567) is 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane].
What is the SMILES notation for 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]?
The canonical SMILES for 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane] is C=C1NC2(CC2)COc2ncc(-c3cc(F)ccc3CCC)cc21.
What is the InChIKey of 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]?
The InChIKey is AOBCFGYYYMTJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-3-4-14-5-6-16(21)10-18(14)15-9-17-13(2)23-20(7-8-20)12-24-19(17)22-11-15/h5-6,9-11,23H,2-4,7-8,12H2,1H3.
What are the key properties of 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]?
7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane] has a molecular weight of 324.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-propylphenyl)-5-methylidenespiro[2,4-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane] is sourced from PubChem (CID 139438567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).