4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one

C11H11F2NO2 — CID 143965748

IUPAC4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one
SMILESCOC1=C(F)C2=C(C=C(F)C1)CN(C)C2=O
InChIInChI=1S/C11H11F2NO2/c1-14-5-6-3-7(12)4-8(16-2)10(13)9(6)11(14)15/h3H,4-5H2,1-2H3
InChIKeyLWOJXDIULWQSGT-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.84
Rot. Bonds1

About 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one

4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one (PubChem CID 143965748) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one.

Molecular Properties

Compound Name4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one
PubChem CID143965748
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one
SMILESCOC1=C(F)C2=C(C=C(F)C1)CN(C)C2=O
InChIInChI=1S/C11H11F2NO2/c1-14-5-6-3-7(12)4-8(16-2)10(13)9(6)11(14)15/h3H,4-5H2,1-2H3
InChIKeyLWOJXDIULWQSGT-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-6-methoxy-2-methyl-1,4-dihydrocyclohepta[c]pyrrol-3-one
CID 143989996
4-Fluoro-5-methoxy-2-methyl-1,8-dihydrocyclohepta[c]pyrrol-3-one
CID 143990806
4-[(1Z)-1-fluoro-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one
CID 143990994
4-[(E)-2-methoxyethenyl]-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 143991257

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one?
The IUPAC name of 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one (CID 143965748) is 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one.
What is the SMILES notation for 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one?
The canonical SMILES for 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one is COC1=C(F)C2=C(C=C(F)C1)CN(C)C2=O.
What is the InChIKey of 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one?
The InChIKey is LWOJXDIULWQSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-5-6-3-7(12)4-8(16-2)10(13)9(6)11(14)15/h3H,4-5H2,1-2H3.
What are the key properties of 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one?
4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one has a molecular weight of 227.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-5-methoxy-2-methyl-1,6-dihydrocyclohepta[c]pyrrol-3-one is sourced from PubChem (CID 143965748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).