3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione

C11H11NO3 — CID 142458899

IUPAC3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione
SMILESCC1C=Cc2oc(=O)n(C)c(=O)c2C=C1
InChIInChI=1S/C11H11NO3/c1-7-3-5-8-9(6-4-7)15-11(14)12(2)10(8)13/h3-7H,1-2H3
InChIKeyUNWXBTXZYSHHSO-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.01
Rot. Bonds

About 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione

3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione (PubChem CID 142458899) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione
PubChem CID142458899
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione
SMILESCC1C=Cc2oc(=O)n(C)c(=O)c2C=C1
InChIInChI=1S/C11H11NO3/c1-7-3-5-8-9(6-4-7)15-11(14)12(2)10(8)13/h3-7H,1-2H3
InChIKeyUNWXBTXZYSHHSO-UHFFFAOYSA-N
XLogP1.01
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione?
The IUPAC name of 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione (CID 142458899) is 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione is CC1C=Cc2oc(=O)n(C)c(=O)c2C=C1.
What is the InChIKey of 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione?
The InChIKey is UNWXBTXZYSHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-3-5-8-9(6-4-7)15-11(14)12(2)10(8)13/h3-7H,1-2H3.
What are the key properties of 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione?
3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione has a molecular weight of 205.21 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 142458899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).