5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde

C10H10N2O4 — CID 66060783

IUPAC5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde
SMILESCC1C(=O)NC(=O)CN1c1ccc(C=O)o1
InChIInChI=1S/C10H10N2O4/c1-6-10(15)11-8(14)4-12(6)9-3-2-7(5-13)16-9/h2-3,5-6H,4H2,1H3,(H,11,14,15)
InChIKeyRTQFKOQYSYRNAG-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.06
Rot. Bonds2

About 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde

5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde (PubChem CID 66060783) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde
PubChem CID66060783
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde
SMILESCC1C(=O)NC(=O)CN1c1ccc(C=O)o1
InChIInChI=1S/C10H10N2O4/c1-6-10(15)11-8(14)4-12(6)9-3-2-7(5-13)16-9/h2-3,5-6H,4H2,1H3,(H,11,14,15)
InChIKeyRTQFKOQYSYRNAG-UHFFFAOYSA-N
XLogP-0.06
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Dimethylamino)furan-2-carbaldehyde
CID 802276
5-Diethylamino-Furan-2-Carbaldehyde
CID 768638
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
5-(4-Methylpiperidin-1-yl)furan-2-carbaldehyde
CID 3160428
2-[4-(2-furoyl)piperazino]-N-phenyl-propionamide
CID 16327673
(Z)-5-((5-morpholinofuran-2-yl)methylene)imidazolidine-2,4-dione
CID 1990024
Piperazine, 1-(4-aminophenyl)-4-(2-furanylcarbonyl)-
CID 935439
5-(Piperidin-1-yl)furan-2-carbaldehyde
CID 601613
5-Morpholin-4-yl-2-furaldehyde
CID 602308
N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 655319

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde (CID 66060783) is 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde is CC1C(=O)NC(=O)CN1c1ccc(C=O)o1.
What is the InChIKey of 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde?
The InChIKey is RTQFKOQYSYRNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-6-10(15)11-8(14)4-12(6)9-3-2-7(5-13)16-9/h2-3,5-6H,4H2,1H3,(H,11,14,15).
What are the key properties of 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde?
5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde has a molecular weight of 222.20 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 66060783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).