6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione

C11H11NO3 — CID 155187816

IUPAC6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione
SMILESCOC1=CCC2=C(C=C1)C(=O)N(C)C2=O
InChIInChI=1S/C11H11NO3/c1-12-10(13)8-5-3-7(15-2)4-6-9(8)11(12)14/h3-5H,6H2,1-2H3
InChIKeyKAZMZGDPZYONRD-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.77
Rot. Bonds1

About 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione

6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione (PubChem CID 155187816) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione
PubChem CID155187816
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione
SMILESCOC1=CCC2=C(C=C1)C(=O)N(C)C2=O
InChIInChI=1S/C11H11NO3/c1-12-10(13)8-5-3-7(15-2)4-6-9(8)11(12)14/h3-5H,6H2,1-2H3
InChIKeyKAZMZGDPZYONRD-UHFFFAOYSA-N
XLogP0.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione (CID 155187816) is 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione is COC1=CCC2=C(C=C1)C(=O)N(C)C2=O.
What is the InChIKey of 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione?
The InChIKey is KAZMZGDPZYONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-10(13)8-5-3-7(15-2)4-6-9(8)11(12)14/h3-5H,6H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione?
6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione has a molecular weight of 205.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-8H-cyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 155187816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).