(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine

C11H13ClN2O3 — CID 107716862

IUPAC(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
SMILESO=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CCCN1
InChIInChI=1S/C11H13ClN2O3/c12-9-4-1-5-10(14(15)16)11(9)17-7-8-3-2-6-13-8/h1,4-5,8,13H,2-3,6-7H2/t8-/m1/s1
InChIKeyRUQDQRVZQRJTPD-MRVPVSSYSA-N
MW256.69 g/mol
LogP2.38
Rot. Bonds4

About (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine

(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine (PubChem CID 107716862) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
PubChem CID107716862
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
SMILESO=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CCCN1
InChIInChI=1S/C11H13ClN2O3/c12-9-4-1-5-10(14(15)16)11(9)17-7-8-3-2-6-13-8/h1,4-5,8,13H,2-3,6-7H2/t8-/m1/s1
InChIKeyRUQDQRVZQRJTPD-MRVPVSSYSA-N
XLogP2.38
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.38
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

(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
3-nitro-2-(piperidin-2-ylmethoxy)benzonitrile
CID 90038503
2-[(3-chloro-2-nitrophenoxy)methyl]piperidine
CID 113459399
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
2-[(2-chloro-5-nitrophenoxy)methyl]pyrrolidine
CID 54140908
(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
(2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 67804264
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
N-[(2-chloro-6-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599891
2-chloro-N-methyl-6-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607682
6-bromo-3-nitro-4-(pyrrolidin-2-ylmethoxy)quinoline
CID 62348341

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine (CID 107716862) is (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine is O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine?
The InChIKey is RUQDQRVZQRJTPD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-4-1-5-10(14(15)16)11(9)17-7-8-3-2-6-13-8/h1,4-5,8,13H,2-3,6-7H2/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine?
(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine has a molecular weight of 256.69 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 107716862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).