(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one

C10H9ClN2O3 — CID 129411077

IUPAC(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1
InChIInChI=1S/C10H9ClN2O3/c11-8-2-1-6(13(15)16)5-7(8)9-3-4-10(14)12-9/h1-2,5,9H,3-4H2,(H,12,14)/t9-/m0/s1
InChIKeyKVGZXTCNKHHTDH-VIFPVBQESA-N
MW240.65 g/mol
LogP2.20
Rot. Bonds2

About (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one

(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one (PubChem CID 129411077) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
PubChem CID129411077
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1
InChIInChI=1S/C10H9ClN2O3/c11-8-2-1-6(13(15)16)5-7(8)9-3-4-10(14)12-9/h1-2,5,9H,3-4H2,(H,12,14)/t9-/m0/s1
InChIKeyKVGZXTCNKHHTDH-VIFPVBQESA-N
XLogP2.20
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185722
(4R)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185134
(5R)-5-(5-amino-2-chlorophenyl)pyrrolidin-2-one
CID 131118497
5-(2-chloro-5-nitrophenyl)oxolan-2-one
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7-(2,4-dinitrophenyl)azepan-2-one
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CID 62490251
(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one
CID 100914193
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
4-nitro-12-thiatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 91132080
4-(2-hydroxy-5-nitrophenyl)pyrrolidin-2-one
CID 131262023
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one (CID 129411077) is (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one is O=C1CC[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1.
What is the InChIKey of (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
The InChIKey is KVGZXTCNKHHTDH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-8-2-1-6(13(15)16)5-7(8)9-3-4-10(14)12-9/h1-2,5,9H,3-4H2,(H,12,14)/t9-/m0/s1.
What are the key properties of (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one?
(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one has a molecular weight of 240.65 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 129411077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).