3-(2,5-dioxoimidazolidin-4-yl)propanimidamide

C6H10N4O2 — CID 45120829

IUPAC3-(2,5-dioxoimidazolidin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCC1NC(=O)NC1=O
InChIInChI=1S/C6H10N4O2/c7-4(8)2-1-3-5(11)10-6(12)9-3/h3H,1-2H2,(H3,7,8)(H2,9,10,11,12)
InChIKeyAEPNCVGSCOXEHM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.09
Rot. Bonds3

About 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide

3-(2,5-dioxoimidazolidin-4-yl)propanimidamide (PubChem CID 45120829) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)propanimidamide
PubChem CID45120829
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)propanimidamide
SMILES[H]/N=C(\N)CCC1NC(=O)NC1=O
InChIInChI=1S/C6H10N4O2/c7-4(8)2-1-3-5(11)10-6(12)9-3/h3H,1-2H2,(H3,7,8)(H2,9,10,11,12)
InChIKeyAEPNCVGSCOXEHM-UHFFFAOYSA-N
XLogP-1.09
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-propylimidazolidine-2,4-dione
CID 567619
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133
3-(3-oxoaziridin-2-yl)propanamide
CID 129164942
3-cyclopentylpropanimidamide
CID 83681795
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
5-(4-bromobutyl)imidazolidine-2,4-dione
CID 567967
ethyl N-amino-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]carbamate
CID 19708140
6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
CID 157357273
5-[3-oxo-3-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propyl]imidazolidine-2,4-dione
CID 70736465
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]cyclopentanecarboxamide
CID 110722103
N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
CID 99868106

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide (CID 45120829) is 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide is [H]/N=C(\N)CCC1NC(=O)NC1=O.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide?
The InChIKey is AEPNCVGSCOXEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-4(8)2-1-3-5(11)10-6(12)9-3/h3H,1-2H2,(H3,7,8)(H2,9,10,11,12).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide?
3-(2,5-dioxoimidazolidin-4-yl)propanimidamide has a molecular weight of 170.17 g/mol, XLogP of -1.09, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)propanimidamide is sourced from PubChem (CID 45120829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).