3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one

C10H9F2NO — CID 145311735

IUPAC3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one
SMILESCC1=CC=C2C(=CC1)NC(=O)C2(F)F
InChIInChI=1S/C10H9F2NO/c1-6-2-4-7-8(5-3-6)13-9(14)10(7,11)12/h2,4-5H,3H2,1H3,(H,13,14)
InChIKeyRULUCPPMERNKFC-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.91
Rot. Bonds

About 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one

3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one (PubChem CID 145311735) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one
PubChem CID145311735
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one
SMILESCC1=CC=C2C(=CC1)NC(=O)C2(F)F
InChIInChI=1S/C10H9F2NO/c1-6-2-4-7-8(5-3-6)13-9(14)10(7,11)12/h2,4-5H,3H2,1H3,(H,13,14)
InChIKeyRULUCPPMERNKFC-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one
CID 89364750
(5E)-5-[(Z)-5,5,5-trifluoropent-2-enylidene]pyrrolidin-2-one
CID 132193737
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
CID 145414261
3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen
CID 156714923
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one
CID 145414262
3,3-difluoro-5,6-dihydro-1H-indol-2-one
CID 156714924
3,3-difluoro-4-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1H-pyrrol-2-one
CID 162583399
(4Z,5E)-4-(2-methylpropylidene)-5-prop-2-enylidenepyrrolidin-2-one
CID 88560661
(4Z,5E)-5-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 89662647
3-Methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one
CID 123422524
5-Methyl-1,3-dihydrocyclohepta[b]pyrrol-2-one
CID 123499415
(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one
CID 129197273

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one?
The IUPAC name of 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one (CID 145311735) is 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one?
The canonical SMILES for 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one is CC1=CC=C2C(=CC1)NC(=O)C2(F)F.
What is the InChIKey of 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one?
The InChIKey is RULUCPPMERNKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-6-2-4-7-8(5-3-6)13-9(14)10(7,11)12/h2,4-5H,3H2,1H3,(H,13,14).
What are the key properties of 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one?
3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one has a molecular weight of 197.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 145311735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).