(4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one

C8H9ClN2OS — CID 138725389

IUPAC(4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one
SMILESN[C@H]1CC(=O)N[C@@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H9ClN2OS/c9-6-2-1-5(13-6)8-4(10)3-7(12)11-8/h1-2,4,8H,3,10H2,(H,11,12)/t4-,8-/m0/s1
InChIKeyUDDIAACXLONSED-NVNXEXLPSA-N
MW216.69 g/mol
LogP1.29
Rot. Bonds1

About (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one

(4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one (PubChem CID 138725389) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one
PubChem CID138725389
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name(4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one
SMILESN[C@H]1CC(=O)N[C@@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H9ClN2OS/c9-6-2-1-5(13-6)8-4(10)3-7(12)11-8/h1-2,4,8H,3,10H2,(H,11,12)/t4-,8-/m0/s1
InChIKeyUDDIAACXLONSED-NVNXEXLPSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one (CID 138725389) is (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one is N[C@H]1CC(=O)N[C@@H]1c1ccc(Cl)s1.
What is the InChIKey of (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one?
The InChIKey is UDDIAACXLONSED-NVNXEXLPSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c9-6-2-1-5(13-6)8-4(10)3-7(12)11-8/h1-2,4,8H,3,10H2,(H,11,12)/t4-,8-/m0/s1.
What are the key properties of (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one?
(4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one has a molecular weight of 216.69 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-amino-5-(5-chlorothiophen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 138725389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).