6,7-bis(ethenyl)-1-methylazepine-2,5-dione

C11H11NO2 — CID 89075832

IUPAC6,7-bis(ethenyl)-1-methylazepine-2,5-dione
SMILESC=Cc1c(C=C)n(C)c(=O)ccc1=O
InChIInChI=1S/C11H11NO2/c1-4-8-9(5-2)12(3)11(14)7-6-10(8)13/h4-7H,1-2H2,3H3
InChIKeyXLWGVVWUZMDYCP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.03
Rot. Bonds2

About 6,7-bis(ethenyl)-1-methylazepine-2,5-dione

6,7-bis(ethenyl)-1-methylazepine-2,5-dione (PubChem CID 89075832) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-1-methylazepine-2,5-dione.

Molecular Properties

Compound Name6,7-bis(ethenyl)-1-methylazepine-2,5-dione
PubChem CID89075832
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6,7-bis(ethenyl)-1-methylazepine-2,5-dione
SMILESC=Cc1c(C=C)n(C)c(=O)ccc1=O
InChIInChI=1S/C11H11NO2/c1-4-8-9(5-2)12(3)11(14)7-6-10(8)13/h4-7H,1-2H2,3H3
InChIKeyXLWGVVWUZMDYCP-UHFFFAOYSA-N
XLogP1.03
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-1-methylazepine-2,5-dione?
The IUPAC name of 6,7-bis(ethenyl)-1-methylazepine-2,5-dione (CID 89075832) is 6,7-bis(ethenyl)-1-methylazepine-2,5-dione.
What is the SMILES notation for 6,7-bis(ethenyl)-1-methylazepine-2,5-dione?
The canonical SMILES for 6,7-bis(ethenyl)-1-methylazepine-2,5-dione is C=Cc1c(C=C)n(C)c(=O)ccc1=O.
What is the InChIKey of 6,7-bis(ethenyl)-1-methylazepine-2,5-dione?
The InChIKey is XLWGVVWUZMDYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-4-8-9(5-2)12(3)11(14)7-6-10(8)13/h4-7H,1-2H2,3H3.
What are the key properties of 6,7-bis(ethenyl)-1-methylazepine-2,5-dione?
6,7-bis(ethenyl)-1-methylazepine-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-1-methylazepine-2,5-dione is sourced from PubChem (CID 89075832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).