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

C14H27NO — CID 166548218

IUPAC2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)N(C)CCCO1.CC.CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-9-10(5-2)12-8-6-7-11(9)3;2*1-2/h4-5H,1-2,6-8H2,3H3;2*1-2H3
InChIKeyODVMUFOSMHPDLM-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.97
Rot. Bonds2

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

2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane (PubChem CID 166548218) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane
PubChem CID166548218
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)N(C)CCCO1.CC.CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-9-10(5-2)12-8-6-7-11(9)3;2*1-2/h4-5H,1-2,6-8H2,3H3;2*1-2H3
InChIKeyODVMUFOSMHPDLM-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane (CID 166548218) is 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane is C=CC1=C(C=C)N(C)CCCO1.CC.CC.
What is the InChIKey of 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane?
The InChIKey is ODVMUFOSMHPDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.2C2H6/c1-4-9-10(5-2)12-8-6-7-11(9)3;2*1-2/h4-5H,1-2,6-8H2,3H3;2*1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane?
2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane has a molecular weight of 225.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-methyl-6,7-dihydro-5H-1,4-oxazepine;ethane is sourced from PubChem (CID 166548218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).