6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one

C11H13NO2 — CID 143991262

IUPAC6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one
SMILESCOC1=CCC2=C(C=C1)CN(C)C2=O
InChIInChI=1S/C11H13NO2/c1-12-7-8-3-4-9(14-2)5-6-10(8)11(12)13/h3-5H,6-7H2,1-2H3
InChIKeyADASLEPSRJJATQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.25
Rot. Bonds1

About 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one

6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one (PubChem CID 143991262) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one
PubChem CID143991262
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one
SMILESCOC1=CCC2=C(C=C1)CN(C)C2=O
InChIInChI=1S/C11H13NO2/c1-12-7-8-3-4-9(14-2)5-6-10(8)11(12)13/h3-5H,6-7H2,1-2H3
InChIKeyADASLEPSRJJATQ-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one?
The IUPAC name of 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one (CID 143991262) is 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one.
What is the SMILES notation for 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one?
The canonical SMILES for 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one is COC1=CCC2=C(C=C1)CN(C)C2=O.
What is the InChIKey of 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one?
The InChIKey is ADASLEPSRJJATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-7-8-3-4-9(14-2)5-6-10(8)11(12)13/h3-5H,6-7H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one?
6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3,8-dihydrocyclohepta[c]pyrrol-1-one is sourced from PubChem (CID 143991262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).