5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one

C10H14F2N2O3 — CID 154807639

IUPAC5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C10H14F2N2O3/c1-13-7(2-3-8(13)15)9(16)14-4-6(5-14)17-10(11)12/h6-7,10H,2-5H2,1H3
InChIKeyWVOHCKYGBMFULN-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.06
Rot. Bonds3

About 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one

5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 154807639) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID154807639
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C10H14F2N2O3/c1-13-7(2-3-8(13)15)9(16)14-4-6(5-14)17-10(11)12/h6-7,10H,2-5H2,1H3
InChIKeyWVOHCKYGBMFULN-UHFFFAOYSA-N
XLogP0.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
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5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 154805354
4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 136580851
[3-(difluoromethoxy)azetidin-1-yl]-(6-oxaspiro[2.5]octan-2-yl)methanone
CID 154801197
5-(difluoromethyl)-1-methylpyrrolidin-2-one
CID 67256606
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
prop-2-ynyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate
CID 131182780
[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone
CID 167764957
(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one
CID 167844601

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 154807639) is 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1C(=O)CCC1C(=O)N1CC(OC(F)F)C1.
What is the InChIKey of 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is WVOHCKYGBMFULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c1-13-7(2-3-8(13)15)9(16)14-4-6(5-14)17-10(11)12/h6-7,10H,2-5H2,1H3.
What are the key properties of 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one?
5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 248.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 154807639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).