6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine

C13H21NO — CID 142511821

IUPAC6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine
SMILESC=CC1=C(C=C)OC(C)(C)CN(CC)C1
InChIInChI=1S/C13H21NO/c1-6-11-9-14(8-3)10-13(4,5)15-12(11)7-2/h6-7H,1-2,8-10H2,3-5H3
InChIKeyCSYBPGGLRPDLEP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds3

About 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine

6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine (PubChem CID 142511821) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine.

Molecular Properties

Compound Name6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine
PubChem CID142511821
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine
SMILESC=CC1=C(C=C)OC(C)(C)CN(CC)C1
InChIInChI=1S/C13H21NO/c1-6-11-9-14(8-3)10-13(4,5)15-12(11)7-2/h6-7H,1-2,8-10H2,3-5H3
InChIKeyCSYBPGGLRPDLEP-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine?
The IUPAC name of 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine (CID 142511821) is 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine.
What is the SMILES notation for 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine?
The canonical SMILES for 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine is C=CC1=C(C=C)OC(C)(C)CN(CC)C1.
What is the InChIKey of 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine?
The InChIKey is CSYBPGGLRPDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-11-9-14(8-3)10-13(4,5)15-12(11)7-2/h6-7H,1-2,8-10H2,3-5H3.
What are the key properties of 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine?
6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-4-ethyl-2,2-dimethyl-3,5-dihydro-1,4-oxazepine is sourced from PubChem (CID 142511821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).