3-acetyl-2-imino-1-methylimidazolidin-4-one

C6H9N3O2 — CID 18628329

IUPAC3-acetyl-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)CC(=O)N1C(C)=O
InChIInChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/b7-6+
InChIKeyQMQDYPSDRZORPH-VOTSOKGWSA-N
MW155.16 g/mol
LogP-0.76
Rot. Bonds

About 3-acetyl-2-imino-1-methylimidazolidin-4-one

3-acetyl-2-imino-1-methylimidazolidin-4-one (PubChem CID 18628329) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-acetyl-2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-acetyl-2-imino-1-methylimidazolidin-4-one
PubChem CID18628329
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-acetyl-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)CC(=O)N1C(C)=O
InChIInChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/b7-6+
InChIKeyQMQDYPSDRZORPH-VOTSOKGWSA-N
XLogP-0.76
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
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 3-acetyl-2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 3-acetyl-2-imino-1-methylimidazolidin-4-one (CID 18628329) is 3-acetyl-2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 3-acetyl-2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 3-acetyl-2-imino-1-methylimidazolidin-4-one is [H]/N=C1\N(C)CC(=O)N1C(C)=O.
What is the InChIKey of 3-acetyl-2-imino-1-methylimidazolidin-4-one?
The InChIKey is QMQDYPSDRZORPH-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(10)9-5(11)3-8(2)6(9)7/h7H,3H2,1-2H3/b7-6+.
What are the key properties of 3-acetyl-2-imino-1-methylimidazolidin-4-one?
3-acetyl-2-imino-1-methylimidazolidin-4-one has a molecular weight of 155.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 18628329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).