(3S)-3-(5-chloro-2-nitrophenyl)morpholine

C10H11ClN2O3 — CID 131335857

IUPAC(3S)-3-(5-chloro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(Cl)cc1[C@H]1COCCN1
InChIInChI=1S/C10H11ClN2O3/c11-7-1-2-10(13(14)15)8(5-7)9-6-16-4-3-12-9/h1-2,5,9,12H,3-4,6H2/t9-/m1/s1
InChIKeyHXEQTRKVZYCIMP-SECBINFHSA-N
MW242.66 g/mol
LogP1.91
Rot. Bonds2

About (3S)-3-(5-chloro-2-nitrophenyl)morpholine

(3S)-3-(5-chloro-2-nitrophenyl)morpholine (PubChem CID 131335857) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-nitrophenyl)morpholine
PubChem CID131335857
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name(3S)-3-(5-chloro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(Cl)cc1[C@H]1COCCN1
InChIInChI=1S/C10H11ClN2O3/c11-7-1-2-10(13(14)15)8(5-7)9-6-16-4-3-12-9/h1-2,5,9,12H,3-4,6H2/t9-/m1/s1
InChIKeyHXEQTRKVZYCIMP-SECBINFHSA-N
XLogP1.91
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2-nitrophenyl)morpholine
CID 69296490
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
(2S)-2-(5-chloro-2-nitrophenyl)piperazine;hydrochloride
CID 171193773
(2S)-2-(5-chloro-2-nitrophenyl)aziridine
CID 55263842
3-(2,5-dichlorophenyl)morpholine
CID 126971180
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
4-chloro-2-(5-chloro-2-nitrophenyl)piperidine
CID 10731076
(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
CID 171193204
3-(2-fluoro-3-nitrophenyl)morpholine
CID 130041591
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
5-chloro-2-morpholin-3-ylphenol
CID 82613253
(3S)-3-(5-nitrothiophen-2-yl)morpholine
CID 130747257

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-nitrophenyl)morpholine?
The IUPAC name of (3S)-3-(5-chloro-2-nitrophenyl)morpholine (CID 131335857) is (3S)-3-(5-chloro-2-nitrophenyl)morpholine.
What is the SMILES notation for (3S)-3-(5-chloro-2-nitrophenyl)morpholine?
The canonical SMILES for (3S)-3-(5-chloro-2-nitrophenyl)morpholine is O=[N+]([O-])c1ccc(Cl)cc1[C@H]1COCCN1.
What is the InChIKey of (3S)-3-(5-chloro-2-nitrophenyl)morpholine?
The InChIKey is HXEQTRKVZYCIMP-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-7-1-2-10(13(14)15)8(5-7)9-6-16-4-3-12-9/h1-2,5,9,12H,3-4,6H2/t9-/m1/s1.
What are the key properties of (3S)-3-(5-chloro-2-nitrophenyl)morpholine?
(3S)-3-(5-chloro-2-nitrophenyl)morpholine has a molecular weight of 242.66 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-nitrophenyl)morpholine is sourced from PubChem (CID 131335857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).