1-[1-(4-nitrophenoxy)butyl]pyridin-2-one

C15H16N2O4 — CID 139658505

IUPAC1-[1-(4-nitrophenoxy)butyl]pyridin-2-one
SMILESCCCC(Oc1ccc([N+](=O)[O-])cc1)n1ccccc1=O
InChIInChI=1S/C15H16N2O4/c1-2-5-15(16-11-4-3-6-14(16)18)21-13-9-7-12(8-10-13)17(19)20/h3-4,6-11,15H,2,5H2,1H3
InChIKeyYDENFNDLCURVBA-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.13
Rot. Bonds6

About 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one

1-[1-(4-nitrophenoxy)butyl]pyridin-2-one (PubChem CID 139658505) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(4-nitrophenoxy)butyl]pyridin-2-one
PubChem CID139658505
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[1-(4-nitrophenoxy)butyl]pyridin-2-one
SMILESCCCC(Oc1ccc([N+](=O)[O-])cc1)n1ccccc1=O
InChIInChI=1S/C15H16N2O4/c1-2-5-15(16-11-4-3-6-14(16)18)21-13-9-7-12(8-10-13)17(19)20/h3-4,6-11,15H,2,5H2,1H3
InChIKeyYDENFNDLCURVBA-UHFFFAOYSA-N
XLogP3.13
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.13
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-hexan-3-yloxy-4-nitrobenzene
CID 147757571
1-(4-nitrophenoxy)pyridin-2-one
CID 71440997
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
1-(1-chloropentoxy)-4-nitrobenzene
CID 175239946
1-benzhydryloxy-4-nitrobenzene
CID 7434051
2-[(4-nitrophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210428
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7769987
2-(4-nitrophenoxy)-1-phenylbutan-1-one
CID 61031389
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895
1-nitro-4-octadecoxybenzene
CID 4258205

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one?
The IUPAC name of 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one (CID 139658505) is 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one.
What is the SMILES notation for 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one?
The canonical SMILES for 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one is CCCC(Oc1ccc([N+](=O)[O-])cc1)n1ccccc1=O.
What is the InChIKey of 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one?
The InChIKey is YDENFNDLCURVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-5-15(16-11-4-3-6-14(16)18)21-13-9-7-12(8-10-13)17(19)20/h3-4,6-11,15H,2,5H2,1H3.
What are the key properties of 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one?
1-[1-(4-nitrophenoxy)butyl]pyridin-2-one has a molecular weight of 288.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-nitrophenoxy)butyl]pyridin-2-one is sourced from PubChem (CID 139658505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).