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

C10H12N2O3 — CID 97291213

IUPAC(3S)-3-(2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccccc1[C@H]1COCCN1
InChIInChI=1S/C10H12N2O3/c13-12(14)10-4-2-1-3-8(10)9-7-15-6-5-11-9/h1-4,9,11H,5-7H2/t9-/m1/s1
InChIKeyOQPRMTORDNPSNH-SECBINFHSA-N
MW208.22 g/mol
LogP1.26
Rot. Bonds2

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

(3S)-3-(2-nitrophenyl)morpholine (PubChem CID 97291213) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3S)-3-(2-nitrophenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(2-nitrophenyl)morpholine
PubChem CID97291213
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(3S)-3-(2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccccc1[C@H]1COCCN1
InChIInChI=1S/C10H12N2O3/c13-12(14)10-4-2-1-3-8(10)9-7-15-6-5-11-9/h1-4,9,11H,5-7H2/t9-/m1/s1
InChIKeyOQPRMTORDNPSNH-SECBINFHSA-N
XLogP1.26
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.26
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
3-(2-fluoro-3-nitrophenyl)morpholine
CID 130041591
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
3-morpholin-3-yl-2-nitrobenzoic acid
CID 174727620
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
2-morpholin-3-ylphenol
CID 55294349
(3R)-3-(5-nitrothiophen-2-yl)morpholine
CID 130751942
(3S)-3-(5-nitrothiophen-2-yl)morpholine
CID 130747257
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
2-[(3S)-morpholin-3-yl]benzonitrile;hydrochloride
CID 171193088
(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
CID 171193204

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-nitrophenyl)morpholine?
The IUPAC name of (3S)-3-(2-nitrophenyl)morpholine (CID 97291213) is (3S)-3-(2-nitrophenyl)morpholine.
What is the SMILES notation for (3S)-3-(2-nitrophenyl)morpholine?
The canonical SMILES for (3S)-3-(2-nitrophenyl)morpholine is O=[N+]([O-])c1ccccc1[C@H]1COCCN1.
What is the InChIKey of (3S)-3-(2-nitrophenyl)morpholine?
The InChIKey is OQPRMTORDNPSNH-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-12(14)10-4-2-1-3-8(10)9-7-15-6-5-11-9/h1-4,9,11H,5-7H2/t9-/m1/s1.
What are the key properties of (3S)-3-(2-nitrophenyl)morpholine?
(3S)-3-(2-nitrophenyl)morpholine has a molecular weight of 208.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-nitrophenyl)morpholine is sourced from PubChem (CID 97291213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).