(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide

C6H11N5O3 — CID 135804934

IUPAC(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C6H11N5O3/c1-9(2)6(12)10-4-3-7-5(10)8-11(13)14/h3-4H2,1-2H3,(H,7,8)
InChIKeyCQCIQXLKPULKPI-UHFFFAOYSA-N
MW201.19 g/mol
LogP-0.88
Rot. Bonds1

About (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide

(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide (PubChem CID 135804934) has the molecular formula C6H11N5O3 and a molecular weight of 201.19 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
PubChem CID135804934
Molecular FormulaC6H11N5O3
Molecular Weight201.19 g/mol
Exact Mass201.09
IUPAC Name(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C6H11N5O3/c1-9(2)6(12)10-4-3-7-5(10)8-11(13)14/h3-4H2,1-2H3,(H,7,8)
InChIKeyCQCIQXLKPULKPI-UHFFFAOYSA-N
XLogP-0.88
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide?
The IUPAC name of (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide (CID 135804934) is (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide.
What is the SMILES notation for (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide?
The canonical SMILES for (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide is CN(C)C(=O)N1CCN/C1=N/[N+](=O)[O-].
What is the InChIKey of (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide?
The InChIKey is CQCIQXLKPULKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3/c1-9(2)6(12)10-4-3-7-5(10)8-11(13)14/h3-4H2,1-2H3,(H,7,8).
What are the key properties of (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide?
(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide has a molecular weight of 201.19 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide is sourced from PubChem (CID 135804934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).