1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one

C13H16N2O5 — CID 58748572

IUPAC1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
SMILESCOc1cc(OCCN2CCCC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O5/c1-19-12-9-10(4-5-11(12)15(17)18)20-8-7-14-6-2-3-13(14)16/h4-5,9H,2-3,6-8H2,1H3
InChIKeyJZVXMZTUUPPVFG-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.60
Rot. Bonds6

About 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one

1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one (PubChem CID 58748572) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
PubChem CID58748572
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
SMILESCOc1cc(OCCN2CCCC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O5/c1-19-12-9-10(4-5-11(12)15(17)18)20-8-7-14-6-2-3-13(14)16/h4-5,9H,2-3,6-8H2,1H3
InChIKeyJZVXMZTUUPPVFG-UHFFFAOYSA-N
XLogP1.60
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
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

1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614
1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[3-(3-methoxy-4-nitrophenoxy)propyl]-3-methylpyrrolidine
CID 146453469
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
CID 154676943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one (CID 58748572) is 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one is COc1cc(OCCN2CCCC2=O)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is JZVXMZTUUPPVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-12-9-10(4-5-11(12)15(17)18)20-8-7-14-6-2-3-13(14)16/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one?
1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58748572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).