3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide

C7H10N4O3 — CID 136952209

IUPAC3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide
SMILESCC(CC(N)=O)N=C1NC(=O)C(=O)N1
InChIInChI=1S/C7H10N4O3/c1-3(2-4(8)12)9-7-10-5(13)6(14)11-7/h3H,2H2,1H3,(H2,8,12)(H2,9,10,11,13,14)
InChIKeySQIMKQWPCHSJIP-UHFFFAOYSA-N
MW198.18 g/mol
LogP-2.15
Rot. Bonds3

About 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide

3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide (PubChem CID 136952209) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide.

Molecular Properties

Compound Name3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide
PubChem CID136952209
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide
SMILESCC(CC(N)=O)N=C1NC(=O)C(=O)N1
InChIInChI=1S/C7H10N4O3/c1-3(2-4(8)12)9-7-10-5(13)6(14)11-7/h3H,2H2,1H3,(H2,8,12)(H2,9,10,11,13,14)
InChIKeySQIMKQWPCHSJIP-UHFFFAOYSA-N
XLogP-2.15
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[amino-(hydroxyamino)methylidene]amino]butanamide
CID 104870512
3-[[amino(hydrazinyl)methylidene]amino]butanamide
CID 104870450
3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide
CID 136849720
3-methylbutanamide
CID 87933309
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide
CID 173060911
(2S)-N,N,2-trimethylbutanediamide
CID 89208905
4-hydroxy-3-methylpentanamide
CID 21402958
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
CID 163672048
3-(2-methylpropoxy)butanamide
CID 137379799
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
3-hydroxypentanamide;hydrochloride
CID 174591125

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide?
The IUPAC name of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide (CID 136952209) is 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide.
What is the SMILES notation for 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide?
The canonical SMILES for 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide is CC(CC(N)=O)N=C1NC(=O)C(=O)N1.
What is the InChIKey of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide?
The InChIKey is SQIMKQWPCHSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3(2-4(8)12)9-7-10-5(13)6(14)11-7/h3H,2H2,1H3,(H2,8,12)(H2,9,10,11,13,14).
What are the key properties of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide?
3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide has a molecular weight of 198.18 g/mol, XLogP of -2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]butanamide is sourced from PubChem (CID 136952209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).