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

C12H16N2O3 — CID 868463

IUPAC1-[2-(2-nitrophenoxy)ethyl]pyrrolidine
SMILESO=[N+]([O-])c1ccccc1OCCN1CCCC1
InChIInChI=1S/C12H16N2O3/c15-14(16)11-5-1-2-6-12(11)17-10-9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-10H2
InChIKeyNUXRMDMMIIYPHL-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.07
Rot. Bonds5

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

1-[2-(2-nitrophenoxy)ethyl]pyrrolidine (PubChem CID 868463) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-nitrophenoxy)ethyl]pyrrolidine
PubChem CID868463
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[2-(2-nitrophenoxy)ethyl]pyrrolidine
SMILESO=[N+]([O-])c1ccccc1OCCN1CCCC1
InChIInChI=1S/C12H16N2O3/c15-14(16)11-5-1-2-6-12(11)17-10-9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-10H2
InChIKeyNUXRMDMMIIYPHL-UHFFFAOYSA-N
XLogP2.07
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
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

2-Nitrophenyl phenyl ether
CID 16661
2-Nitrophenetole
CID 11889
1,2-bis(2-Nitrophenoxy)ethane
CID 394580
1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine
CID 9925627
4-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361
2-Nitrophenyl pentyl ether
CID 231833
1-Butoxy-2-nitrobenzene
CID 244270
1-(2-Bromoethoxy)-2-nitrobenzene
CID 310007
Diethylene glycol bis(2-nitrophenyl) ether
CID 2748735
2-Nitrophenyl octyl ether
CID 169952
N,N,N-Trimethyl-2-(4-nitrophenoxy)ethanaminium Bromide
CID 16192993
4-(3-(2-Nitrophenoxy)propyl)morpholine
CID 2232477

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine (CID 868463) is 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine is O=[N+]([O-])c1ccccc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine?
The InChIKey is NUXRMDMMIIYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-14(16)11-5-1-2-6-12(11)17-10-9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine?
1-[2-(2-nitrophenoxy)ethyl]pyrrolidine has a molecular weight of 236.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nitrophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 868463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).