N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C11H17FN2O3 — CID 126857056

IUPACN-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCCOC2F)CC1=O
InChIInChI=1S/C11H17FN2O3/c1-14-6-7(5-9(14)15)11(16)13-8-3-2-4-17-10(8)12/h7-8,10H,2-6H2,1H3,(H,13,16)
InChIKeyFMAQZXNNVVGULQ-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.06
Rot. Bonds2

About N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 126857056) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID126857056
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC NameN-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCCOC2F)CC1=O
InChIInChI=1S/C11H17FN2O3/c1-14-6-7(5-9(14)15)11(16)13-8-3-2-4-17-10(8)12/h7-8,10H,2-6H2,1H3,(H,13,16)
InChIKeyFMAQZXNNVVGULQ-UHFFFAOYSA-N
XLogP0.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119603187
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119457640
N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 126857055
1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600934
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 56783387
(3R)-1-methyl-5-oxo-N-(4-propan-2-yloxycyclohexyl)pyrrolidine-3-carboxamide
CID 97240549
(3R)-1-methyl-5-oxo-N-[(1S,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]pyrrolidine-3-carboxamide
CID 126417177
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411799
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
(3S)-1-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94646530
3-methyl-4-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66248512
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 126857056) is N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CCCOC2F)CC1=O.
What is the InChIKey of N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FMAQZXNNVVGULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-14-6-7(5-9(14)15)11(16)13-8-3-2-4-17-10(8)12/h7-8,10H,2-6H2,1H3,(H,13,16).
What are the key properties of N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126857056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).