1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione

C11H14N4O4 — CID 21491651

IUPAC1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione
SMILESCc1ncc([N+](=O)[O-])n1CCN1C(=O)CCCC1=O
InChIInChI=1S/C11H14N4O4/c1-8-12-7-9(15(18)19)13(8)5-6-14-10(16)3-2-4-11(14)17/h7H,2-6H2,1H3
InChIKeyYJBXXZGNJYETNJ-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.64
Rot. Bonds4

About 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione

1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione (PubChem CID 21491651) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione
PubChem CID21491651
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione
SMILESCc1ncc([N+](=O)[O-])n1CCN1C(=O)CCCC1=O
InChIInChI=1S/C11H14N4O4/c1-8-12-7-9(15(18)19)13(8)5-6-14-10(16)3-2-4-11(14)17/h7H,2-6H2,1H3
InChIKeyYJBXXZGNJYETNJ-UHFFFAOYSA-N
XLogP0.64
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione (CID 21491651) is 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione is Cc1ncc([N+](=O)[O-])n1CCN1C(=O)CCCC1=O.
What is the InChIKey of 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione?
The InChIKey is YJBXXZGNJYETNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-8-12-7-9(15(18)19)13(8)5-6-14-10(16)3-2-4-11(14)17/h7H,2-6H2,1H3.
What are the key properties of 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione?
1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione has a molecular weight of 266.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 21491651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).