N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide

C6H11N5O3 — CID 152748473

IUPACN,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCNC1=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 N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide

N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide (PubChem CID 152748473) has the molecular formula C6H11N5O3 and a molecular weight of 201.19 g/mol. Its IUPAC name is N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
PubChem CID152748473
Molecular FormulaC6H11N5O3
Molecular Weight201.19 g/mol
Exact Mass201.09
IUPAC NameN,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCNC1=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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Related Compounds

(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
CID 135804934
(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide
CID 135804938
(NZ)-N-[1-(dimethoxymethyl)imidazolidin-2-ylidene]nitramide
CID 135588828
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;propan-2-one
CID 136598165
N-[1-(4-nitrophenyl)imidazolidin-2-ylidene]nitramide
CID 152747111
(NE)-N-[1-[(E)-4,4,4-trifluoro-3-hydroxybut-2-enyl]imidazolidin-2-ylidene]nitramide
CID 135871408
(NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide
CID 135773311
(NZ)-N-[1-[2-(4-chlorophenoxy)ethyl]imidazolidin-2-ylidene]nitramide
CID 135804940
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;3-[(6-chloro-3-pyridinyl)methyl-methylamino]-2H-furan-5-one
CID 135765294
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazinan-2-ylidene]nitramide
CID 135852985
(NZ)-N-[1-[[2-(trifluoromethyl)phenyl]iminomethyl]imidazolidin-2-ylidene]nitramide
CID 135773316
(NE)-N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]imidazolidin-2-ylidene]nitramide
CID 136756344

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide (CID 152748473) is N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide is CN(C)C(=O)N1CCNC1=N[N+](=O)[O-].
What is the InChIKey of 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 N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide?
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 N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide is sourced from PubChem (CID 152748473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).