(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine

C12H16N2O4 — CID 102820051

IUPAC(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
SMILESCOc1ccc(OC[C@H]2CCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-17-10-4-5-12(11(7-10)14(15)16)18-8-9-3-2-6-13-9/h4-5,7,9,13H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyMJXMZWUDXPGUHG-SECBINFHSA-N
MW252.27 g/mol
LogP1.73
Rot. Bonds5

About (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine

(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine (PubChem CID 102820051) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
PubChem CID102820051
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
SMILESCOc1ccc(OC[C@H]2CCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-17-10-4-5-12(11(7-10)14(15)16)18-8-9-3-2-6-13-9/h4-5,7,9,13H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyMJXMZWUDXPGUHG-SECBINFHSA-N
XLogP1.73
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
CID 107260637
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
2-[(5-fluoro-4-iodo-2-nitrophenoxy)methyl]pyrrolidine
CID 66099909
2-[[4-nitro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 62348337
3-nitro-4-(piperidin-2-ylmethoxy)pyridine
CID 62349163
6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 81137313
6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619608
2-nitro-5-(piperidin-2-ylmethoxy)benzonitrile
CID 115500682
2-methyl-6-nitro-5-(pyrrolidin-2-ylmethoxy)-1,3-benzothiazole
CID 62347924

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine (CID 102820051) is (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine is COc1ccc(OC[C@H]2CCCN2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine?
The InChIKey is MJXMZWUDXPGUHG-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-10-4-5-12(11(7-10)14(15)16)18-8-9-3-2-6-13-9/h4-5,7,9,13H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine?
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine has a molecular weight of 252.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 102820051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).