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

C9H13NO — CID 142472147

IUPAC6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESC=CC1=C(C=C)OCCNC1
InChIInChI=1S/C9H13NO/c1-3-8-7-10-5-6-11-9(8)4-2/h3-4,10H,1-2,5-7H2
InChIKeyRHALXWQVNCJKAM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds2

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

6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine (PubChem CID 142472147) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine.

Molecular Properties

Compound Name6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine
PubChem CID142472147
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine
SMILESC=CC1=C(C=C)OCCNC1
InChIInChI=1S/C9H13NO/c1-3-8-7-10-5-6-11-9(8)4-2/h3-4,10H,1-2,5-7H2
InChIKeyRHALXWQVNCJKAM-UHFFFAOYSA-N
XLogP1.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
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?
The IUPAC name of 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine (CID 142472147) is 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine.
What is the SMILES notation for 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine?
The canonical SMILES for 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine is C=CC1=C(C=C)OCCNC1.
What is the InChIKey of 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine?
The InChIKey is RHALXWQVNCJKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8-7-10-5-6-11-9(8)4-2/h3-4,10H,1-2,5-7H2.
What are the key properties of 6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine?
6,7-bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine has a molecular weight of 151.21 g/mol, XLogP of 1.23, 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 is sourced from PubChem (CID 142472147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).