(5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one

C16H21FN2O — CID 163218533

IUPAC(5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CNC2(c3ccc(F)cc3)CCCC2)N1
InChIInChI=1S/C16H21FN2O/c17-13-5-3-12(4-6-13)16(9-1-2-10-16)18-11-14-7-8-15(20)19-14/h3-6,14,18H,1-2,7-11H2,(H,19,20)/t14-/m0/s1
InChIKeyYZIGMIXQNJOIFH-AWEZNQCLSA-N
MW276.35 g/mol
LogP2.46
Rot. Bonds4

About (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one

(5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one (PubChem CID 163218533) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one
PubChem CID163218533
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CNC2(c3ccc(F)cc3)CCCC2)N1
InChIInChI=1S/C16H21FN2O/c17-13-5-3-12(4-6-13)16(9-1-2-10-16)18-11-14-7-8-15(20)19-14/h3-6,14,18H,1-2,7-11H2,(H,19,20)/t14-/m0/s1
InChIKeyYZIGMIXQNJOIFH-AWEZNQCLSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]pyrrolidin-2-one
CID 103829234
5-[[(1-methylcyclobutyl)amino]methyl]pyrrolidin-2-one
CID 107530010
5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one
CID 107530188
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile
CID 126782171
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687134
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
5-[(2,5-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687085
5-[(cyclooctylamino)methyl]pyrrolidin-2-one
CID 60727135
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one (CID 163218533) is (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one is O=C1CC[C@@H](CNC2(c3ccc(F)cc3)CCCC2)N1.
What is the InChIKey of (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is YZIGMIXQNJOIFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-13-5-3-12(4-6-13)16(9-1-2-10-16)18-11-14-7-8-15(20)19-14/h3-6,14,18H,1-2,7-11H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one?
(5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 276.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 163218533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).