6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane

C11H19NO — CID 142483921

IUPAC6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)OCCNC1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-8-7-10-5-6-11-9(8)4-2;1-2/h3-4,10H,1-2,5-7H2;1-2H3
InChIKeySDYROKMXGZXYLW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds2

About 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane

6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane (PubChem CID 142483921) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane.

Molecular Properties

Compound Name6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane
PubChem CID142483921
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)OCCNC1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-8-7-10-5-6-11-9(8)4-2;1-2/h3-4,10H,1-2,5-7H2;1-2H3
InChIKeySDYROKMXGZXYLW-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane?
The IUPAC name of 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane (CID 142483921) is 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane.
What is the SMILES notation for 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane?
The canonical SMILES for 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane is C=CC1=C(C=C)OCCNC1.CC.
What is the InChIKey of 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane?
The InChIKey is SDYROKMXGZXYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-8-7-10-5-6-11-9(8)4-2;1-2/h3-4,10H,1-2,5-7H2;1-2H3.
What are the key properties of 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane?
6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane is sourced from PubChem (CID 142483921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).