3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione

C10H13N5O4 — CID 103554849

IUPAC3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCc1nc([N+](=O)[O-])c(NC2CC(=O)N(C)C2=O)n1C
InChIInChI=1S/C10H13N5O4/c1-5-11-9(15(18)19)8(13(5)2)12-6-4-7(16)14(3)10(6)17/h6,12H,4H2,1-3H3
InChIKeyNBAYIEOGMFYBPL-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.19
Rot. Bonds3

About 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 103554849) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID103554849
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCc1nc([N+](=O)[O-])c(NC2CC(=O)N(C)C2=O)n1C
InChIInChI=1S/C10H13N5O4/c1-5-11-9(15(18)19)8(13(5)2)12-6-4-7(16)14(3)10(6)17/h6,12H,4H2,1-3H3
InChIKeyNBAYIEOGMFYBPL-UHFFFAOYSA-N
XLogP-0.19
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 103554849) is 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione is Cc1nc([N+](=O)[O-])c(NC2CC(=O)N(C)C2=O)n1C.
What is the InChIKey of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is NBAYIEOGMFYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-5-11-9(15(18)19)8(13(5)2)12-6-4-7(16)14(3)10(6)17/h6,12H,4H2,1-3H3.
What are the key properties of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 267.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 103554849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).