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

C12H21NO — CID 153359376

IUPAC6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)OCCN(C)C1.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-9-8-11(3)6-7-12-10(9)5-2;1-2/h4-5H,1-2,6-8H2,3H3;1-2H3
InChIKeyBLDRRQRWHYWBIA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds2

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

6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane (PubChem CID 153359376) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane.

Molecular Properties

Compound Name6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane
PubChem CID153359376
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane
SMILESC=CC1=C(C=C)OCCN(C)C1.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-9-8-11(3)6-7-12-10(9)5-2;1-2/h4-5H,1-2,6-8H2,3H3;1-2H3
InChIKeyBLDRRQRWHYWBIA-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
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-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane?
The IUPAC name of 6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane (CID 153359376) is 6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane.
What is the SMILES notation for 6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane?
The canonical SMILES for 6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane is C=CC1=C(C=C)OCCN(C)C1.CC.
What is the InChIKey of 6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane?
The InChIKey is BLDRRQRWHYWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-4-9-8-11(3)6-7-12-10(9)5-2;1-2/h4-5H,1-2,6-8H2,3H3;1-2H3.
What are the key properties of 6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane?
6,7-bis(ethenyl)-4-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.60, 2 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-methyl-3,5-dihydro-2H-1,4-oxazepine;ethane is sourced from PubChem (CID 153359376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).