(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one

C17H25FN2O2 — CID 97316471

IUPAC(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
SMILESCC(C)OCCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H25FN2O2/c1-13(2)22-12-6-10-19(3)16-9-11-20(17(16)21)15-8-5-4-7-14(15)18/h4-5,7-8,13,16H,6,9-12H2,1-3H3/t16-/m1/s1
InChIKeyHWKCPMWMDJVNGG-MRXNPFEDSA-N
MW308.40 g/mol
LogP2.68
Rot. Bonds7

About (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one

(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one (PubChem CID 97316471) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
PubChem CID97316471
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
SMILESCC(C)OCCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H25FN2O2/c1-13(2)22-12-6-10-19(3)16-9-11-20(17(16)21)15-8-5-4-7-14(15)18/h4-5,7-8,13,16H,6,9-12H2,1-3H3/t16-/m1/s1
InChIKeyHWKCPMWMDJVNGG-MRXNPFEDSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
CID 119037327
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 139015673
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785245
(3S)-1-(2-fluorophenyl)-3-[methyl-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 95783539
1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
CID 119931685
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95623597
(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124619263
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one (CID 97316471) is (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one is CC(C)OCCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
The InChIKey is HWKCPMWMDJVNGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(2)22-12-6-10-19(3)16-9-11-20(17(16)21)15-8-5-4-7-14(15)18/h4-5,7-8,13,16H,6,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one?
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 97316471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).