2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide

C10H18N2O2 — CID 174343074

IUPAC2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide
SMILESCC(C)C(=O)C(=O)C/N=C(/N)C(C)C
InChIInChI=1S/C10H18N2O2/c1-6(2)9(14)8(13)5-12-10(11)7(3)4/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyDRZBNBHHRFGRCA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.79
Rot. Bonds5

About 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide

2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide (PubChem CID 174343074) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide
PubChem CID174343074
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide
SMILESCC(C)C(=O)C(=O)C/N=C(/N)C(C)C
InChIInChI=1S/C10H18N2O2/c1-6(2)9(14)8(13)5-12-10(11)7(3)4/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyDRZBNBHHRFGRCA-UHFFFAOYSA-N
XLogP0.79
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide (CID 174343074) is 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide is CC(C)C(=O)C(=O)C/N=C(/N)C(C)C.
What is the InChIKey of 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide?
The InChIKey is DRZBNBHHRFGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)9(14)8(13)5-12-10(11)7(3)4/h6-7H,5H2,1-4H3,(H2,11,12).
What are the key properties of 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide?
2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide has a molecular weight of 198.27 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide is sourced from PubChem (CID 174343074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).