3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one

C10H15N5O3 — CID 106258269

IUPAC3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1nc([N+](=O)[O-])c(NC2CCN(C)C2=O)n1C
InChIInChI=1S/C10H15N5O3/c1-6-11-9(15(17)18)8(14(6)3)12-7-4-5-13(2)10(7)16/h7,12H,4-5H2,1-3H3
InChIKeyOUIPTYAXTXZKHL-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.28
Rot. Bonds3

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

3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106258269) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106258269
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCc1nc([N+](=O)[O-])c(NC2CCN(C)C2=O)n1C
InChIInChI=1S/C10H15N5O3/c1-6-11-9(15(17)18)8(14(6)3)12-7-4-5-13(2)10(7)16/h7,12H,4-5H2,1-3H3
InChIKeyOUIPTYAXTXZKHL-UHFFFAOYSA-N
XLogP0.28
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
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'}

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Related Compounds

3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 103554849
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 103555044
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)cyclohexane-1,4-diamine
CID 103554754
2,3-dimethyl-N-(4-methylcycloheptyl)-5-nitroimidazol-4-amine
CID 102809610
N-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 103554932
N-(2-ethylcyclohexyl)-2,3-dimethyl-5-nitroimidazol-4-amine
CID 103554797
7-N-(2,3-dimethyl-5-nitroimidazol-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 103555036
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
(3S)-3-(2-chloro-5-methyl-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 96566432
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-nitrobenzonitrile
CID 106256152
4-(2,3-dimethyl-5-nitroimidazol-4-yl)oxypiperidine
CID 103555198

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106258269) is 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one is Cc1nc([N+](=O)[O-])c(NC2CCN(C)C2=O)n1C.
What is the InChIKey of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is OUIPTYAXTXZKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-6-11-9(15(17)18)8(14(6)3)12-7-4-5-13(2)10(7)16/h7,12H,4-5H2,1-3H3.
What are the key properties of 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 253.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).