1-(2-nitrobenzoyl)piperidine-2,6-dione

C12H10N2O5 — CID 11108124

IUPAC1-(2-nitrobenzoyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O5/c15-10-6-3-7-11(16)13(10)12(17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5H,3,6-7H2
InChIKeyOSCFWOPLMHYBFD-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.27
Rot. Bonds2

About 1-(2-nitrobenzoyl)piperidine-2,6-dione

1-(2-nitrobenzoyl)piperidine-2,6-dione (PubChem CID 11108124) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-(2-nitrobenzoyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-nitrobenzoyl)piperidine-2,6-dione
PubChem CID11108124
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name1-(2-nitrobenzoyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O5/c15-10-6-3-7-11(16)13(10)12(17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5H,3,6-7H2
InChIKeyOSCFWOPLMHYBFD-UHFFFAOYSA-N
XLogP1.27
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.27
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
1-(2-nitrobenzoyl)indole-2,3-dione
CID 10017434
(3,4-dihydroxypyrrolidin-1-yl)-(2-nitrophenyl)methanone
CID 106671114
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone
CID 24697162
benzene;2-nitrobenzoic acid
CID 19891435
1-(2-bromo-3-nitrobenzoyl)piperidin-2-one
CID 132563686
(3-oxocyclohexen-1-yl) 2-nitrobenzoate
CID 11021637
(2-nitrophenyl)-piperazin-1-ylmethanone;piperazine
CID 174837455
2-nitro-N-piperidin-1-ylbenzamide
CID 17163930
(3-bromopiperidin-1-yl)-(2-nitrophenyl)methanone
CID 80660570
1-(2-nitrobenzoyl)piperidine-2-carboxylic acid
CID 16783189

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrobenzoyl)piperidine-2,6-dione?
The IUPAC name of 1-(2-nitrobenzoyl)piperidine-2,6-dione (CID 11108124) is 1-(2-nitrobenzoyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2-nitrobenzoyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2-nitrobenzoyl)piperidine-2,6-dione is O=C1CCCC(=O)N1C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrobenzoyl)piperidine-2,6-dione?
The InChIKey is OSCFWOPLMHYBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-10-6-3-7-11(16)13(10)12(17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5H,3,6-7H2.
What are the key properties of 1-(2-nitrobenzoyl)piperidine-2,6-dione?
1-(2-nitrobenzoyl)piperidine-2,6-dione has a molecular weight of 262.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrobenzoyl)piperidine-2,6-dione is sourced from PubChem (CID 11108124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).