3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile

C7H10N4O3 — CID 46737744

IUPAC3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
SMILESCCN1C(=O)NC(=O)C1(C#N)NOC
InChIInChI=1S/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13)
InChIKeyUHLOZXUJVHDKAG-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.07
Rot. Bonds3

About 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile

3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile (PubChem CID 46737744) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
PubChem CID46737744
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
SMILESCCN1C(=O)NC(=O)C1(C#N)NOC
InChIInChI=1S/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13)
InChIKeyUHLOZXUJVHDKAG-UHFFFAOYSA-N
XLogP-1.07
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

644972-61-2
CID 45095227
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
CID 597160
1-Imidazolidineacetonitrile, 5,5-dimethyl-2,4-dioxo-
CID 54593057
3-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)propanenitrile
CID 21404292
2-[3-(2-Cyanoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 14393483
N-(2-cyanoethyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
CID 43213591
N-(2-cyanoethyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
CID 43213629
N-(2-cyanoethyl)-3-(2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 43289097
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methoxy-N-methylacetamide
CID 55027811
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methoxyacetamide
CID 60717947
N-(2-cyanoethyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
CID 64217305
(4R)-3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
CID 86315829

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
The IUPAC name of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile (CID 46737744) is 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile.
What is the SMILES notation for 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
The canonical SMILES for 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile is CCN1C(=O)NC(=O)C1(C#N)NOC.
What is the InChIKey of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
The InChIKey is UHLOZXUJVHDKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13).
What are the key properties of 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile?
3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile has a molecular weight of 198.18 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 46737744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).