N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide

C8H11N3O3 — CID 91716816

IUPACN-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide
SMILESCC(=O)/N=C1\N(C)CC(=O)N1C(C)=O
InChIInChI=1S/C8H11N3O3/c1-5(12)9-8-10(3)4-7(14)11(8)6(2)13/h4H2,1-3H3/b9-8+
InChIKeyVVYMPEHIEORSFO-CMDGGOBGSA-N
MW197.19 g/mol
LogP-0.79
Rot. Bonds

About N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide

N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide (PubChem CID 91716816) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide
PubChem CID91716816
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide
SMILESCC(=O)/N=C1\N(C)CC(=O)N1C(C)=O
InChIInChI=1S/C8H11N3O3/c1-5(12)9-8-10(3)4-7(14)11(8)6(2)13/h4H2,1-3H3/b9-8+
InChIKeyVVYMPEHIEORSFO-CMDGGOBGSA-N
XLogP-0.79
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide?
The IUPAC name of N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide (CID 91716816) is N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide.
What is the SMILES notation for N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide?
The canonical SMILES for N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide is CC(=O)/N=C1\N(C)CC(=O)N1C(C)=O.
What is the InChIKey of N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide?
The InChIKey is VVYMPEHIEORSFO-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)9-8-10(3)4-7(14)11(8)6(2)13/h4H2,1-3H3/b9-8+.
What are the key properties of N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide?
N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide has a molecular weight of 197.19 g/mol, XLogP of -0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide is sourced from PubChem (CID 91716816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).