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

C11H17NO — CID 142483680

IUPAC6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
SMILESC=CC1=C(C=C)OCCN(CC)C1
InChIInChI=1S/C11H17NO/c1-4-10-9-12(6-3)7-8-13-11(10)5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyJVIALSBYBLSPFA-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.96
Rot. Bonds3

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

6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine (PubChem CID 142483680) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine.

Molecular Properties

Compound Name6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
PubChem CID142483680
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
SMILESC=CC1=C(C=C)OCCN(CC)C1
InChIInChI=1S/C11H17NO/c1-4-10-9-12(6-3)7-8-13-11(10)5-2/h4-5H,1-2,6-9H2,3H3
InChIKeyJVIALSBYBLSPFA-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 134485009
4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
CID 138571735
5,10,10-Trimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141922016
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
5,10-Dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 142260943
6,7-Bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine
CID 142472147
6,7-Bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane
CID 142483921
6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 142511832
N-ethyl-N-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]propan-1-amine
CID 142845360
2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
CID 142981286
4-[(2-Methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine
CID 143482938

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine?
The IUPAC name of 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine (CID 142483680) is 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine.
What is the SMILES notation for 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine?
The canonical SMILES for 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine is C=CC1=C(C=C)OCCN(CC)C1.
What is the InChIKey of 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine?
The InChIKey is JVIALSBYBLSPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-10-9-12(6-3)7-8-13-11(10)5-2/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine?
6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine has a molecular weight of 179.26 g/mol, XLogP of 1.96, 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-3,5-dihydro-2H-1,4-oxazepine is sourced from PubChem (CID 142483680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).