tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate

C15H23NO3 — CID 145208780

IUPACtert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate
SMILESC=CC1=C(/C=C\C)OCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H23NO3/c1-6-8-13-12(7-2)11-16(9-10-18-13)14(17)19-15(3,4)5/h6-8H,2,9-11H2,1,3-5H3/b8-6-
InChIKeyFSWOOWXYVNSAHT-VURMDHGXSA-N
MW265.35 g/mol
LogP3.27
Rot. Bonds2

About tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate

tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate (PubChem CID 145208780) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate
PubChem CID145208780
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate
SMILESC=CC1=C(/C=C\C)OCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H23NO3/c1-6-8-13-12(7-2)11-16(9-10-18-13)14(17)19-15(3,4)5/h6-8H,2,9-11H2,1,3-5H3/b8-6-
InChIKeyFSWOOWXYVNSAHT-VURMDHGXSA-N
XLogP3.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate?
The IUPAC name of tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate (CID 145208780) is tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate?
The canonical SMILES for tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate is C=CC1=C(/C=C\C)OCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate?
The InChIKey is FSWOOWXYVNSAHT-VURMDHGXSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-8-13-12(7-2)11-16(9-10-18-13)14(17)19-15(3,4)5/h6-8H,2,9-11H2,1,3-5H3/b8-6-.
What are the key properties of tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate?
tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-ethenyl-7-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine-4-carboxylate is sourced from PubChem (CID 145208780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).