2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine

C13H18N2O4 — CID 67692652

IUPAC2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine
SMILESCOc1ccc([N+](=O)[O-])cc1OC(C)C1CCCN1
InChIInChI=1S/C13H18N2O4/c1-9(11-4-3-7-14-11)19-13-8-10(15(16)17)5-6-12(13)18-2/h5-6,8-9,11,14H,3-4,7H2,1-2H3
InChIKeyXFQBDPDIWVYDRK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine

2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine (PubChem CID 67692652) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine
PubChem CID67692652
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine
SMILESCOc1ccc([N+](=O)[O-])cc1OC(C)C1CCCN1
InChIInChI=1S/C13H18N2O4/c1-9(11-4-3-7-14-11)19-13-8-10(15(16)17)5-6-12(13)18-2/h5-6,8-9,11,14H,3-4,7H2,1-2H3
InChIKeyXFQBDPDIWVYDRK-UHFFFAOYSA-N
XLogP2.12
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.12
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

tert-butyl (2R)-2-(2-methoxy-5-nitrophenoxy)-2-pyrrolidin-2-ylacetate
CID 67692636
(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
CID 66519478
2-(1-chloroethoxy)-1-methoxy-4-nitrobenzene
CID 174987281
(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
CID 8946929
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582
(2R)-1-(azepan-1-yl)-2-(2-methoxy-5-nitrophenoxy)propan-1-one
CID 26564246
(2-methoxy-5-nitrophenyl) cyclobutanecarboxylate
CID 71904426
3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine
CID 70083759
3-[3-(2-methoxy-5-nitrophenoxy)butyl]-3-methylpyrrolidine
CID 145385435

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine?
The IUPAC name of 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine (CID 67692652) is 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine is COc1ccc([N+](=O)[O-])cc1OC(C)C1CCCN1.
What is the InChIKey of 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine?
The InChIKey is XFQBDPDIWVYDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(11-4-3-7-14-11)19-13-8-10(15(16)17)5-6-12(13)18-2/h5-6,8-9,11,14H,3-4,7H2,1-2H3.
What are the key properties of 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine?
2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine has a molecular weight of 266.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 67692652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).