[5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium

C6H13N4O3+ — CID 134843992

IUPAC[5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium
SMILESCN1C(=O)N(C)C(NC(N)=O)C1[OH2+]
InChIInChI=1S/C6H12N4O3/c1-9-3(8-5(7)12)4(11)10(2)6(9)13/h3-4,11H,1-2H3,(H3,7,8,12)/p+1
InChIKeyUINKOJQEQCUADZ-UHFFFAOYSA-O
MW189.20 g/mol
LogP-1.97
Rot. Bonds1

About [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium

[5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium (PubChem CID 134843992) has the molecular formula C6H13N4O3+ and a molecular weight of 189.20 g/mol. Its IUPAC name is [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium.

Molecular Properties

Compound Name[5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium
PubChem CID134843992
Molecular FormulaC6H13N4O3+
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name[5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium
SMILESCN1C(=O)N(C)C(NC(N)=O)C1[OH2+]
InChIInChI=1S/C6H12N4O3/c1-9-3(8-5(7)12)4(11)10(2)6(9)13/h3-4,11H,1-2H3,(H3,7,8,12)/p+1
InChIKeyUINKOJQEQCUADZ-UHFFFAOYSA-O
XLogP-1.97
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

Hydroxyethyl imidazolidinone
CID 77290
5-Hydroxy-1-methylimidazolidin-2-one
CID 13109371
4,5-Dihydroxy-1-(hydroxymethyl)imidazolidin-2-one
CID 89364
5-Hydroxy-1,4-dimethylimidazolidin-2-one
CID 13109359
1-(2-Hydroxypropyl)imidazolidin-2-one
CID 10419305
1-(2-hydroxyethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 3828809
1-(1-Hydroxypropan-2-yl)imidazolidin-2-one
CID 83815206
4-Hydroxy-2-imidazolidinone
CID 20239908
Methylolmethylendiharnstoff
CID 129890789
N-(2-aminoethyl)-N'-(2-hydroxyethyl) imidazolidinone
CID 169449581
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (2,5-dioxo-4-imidazolidinyl)urea (1:1)
CID 44151541
1-(Hydroxymethyl)-imidazolidin-2-one
CID 85045

Frequently Asked Questions

What is the IUPAC name of [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium?
The IUPAC name of [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium (CID 134843992) is [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium.
What is the SMILES notation for [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium?
The canonical SMILES for [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium is CN1C(=O)N(C)C(NC(N)=O)C1[OH2+].
What is the InChIKey of [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium?
The InChIKey is UINKOJQEQCUADZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N4O3/c1-9-3(8-5(7)12)4(11)10(2)6(9)13/h3-4,11H,1-2H3,(H3,7,8,12)/p+1.
What are the key properties of [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium?
[5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium has a molecular weight of 189.20 g/mol, XLogP of -1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(carbamoylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]oxidanium is sourced from PubChem (CID 134843992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).