4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one

C12H15N3O4 — CID 106189530

IUPAC4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one
SMILESO=C1CC(NCCOc2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H15N3O4/c16-12-7-9(8-14-12)13-5-6-19-11-3-1-10(2-4-11)15(17)18/h1-4,9,13H,5-8H2,(H,14,16)
InChIKeyVWLSJIMFUHNUEV-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.45
Rot. Bonds6

About 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one

4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one (PubChem CID 106189530) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one
PubChem CID106189530
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one
SMILESO=C1CC(NCCOc2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H15N3O4/c16-12-7-9(8-14-12)13-5-6-19-11-3-1-10(2-4-11)15(17)18/h1-4,9,13H,5-8H2,(H,14,16)
InChIKeyVWLSJIMFUHNUEV-UHFFFAOYSA-N
XLogP0.45
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 106188907
N-[3-(4-nitrophenoxy)propyl]cyclopentanamine;oxalic acid
CID 2949061
4-[(3-nitrophenyl)methylamino]pyrrolidin-2-one
CID 114155136
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
CID 62086600
N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine
CID 83014373
2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 63828920
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
CID 114155915
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
2,2-difluoro-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 113303726

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one?
The IUPAC name of 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one (CID 106189530) is 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one is O=C1CC(NCCOc2ccc([N+](=O)[O-])cc2)CN1.
What is the InChIKey of 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one?
The InChIKey is VWLSJIMFUHNUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-12-7-9(8-14-12)13-5-6-19-11-3-1-10(2-4-11)15(17)18/h1-4,9,13H,5-8H2,(H,14,16).
What are the key properties of 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one?
4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one has a molecular weight of 265.27 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitrophenoxy)ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).