imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone

C9H12N4O3 — CID 86738426

IUPACimidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone
SMILESO=C1NCCN1.O=C=C1NCCNC1=C=O
InChIInChI=1S/C6H6N2O2.C3H6N2O/c9-3-5-6(4-10)8-2-1-7-5;6-3-4-1-2-5-3/h7-8H,1-2H2;1-2H2,(H2,4,5,6)
InChIKeyRGQONSDGXNTDOQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-2.09
Rot. Bonds

About imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone

imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone (PubChem CID 86738426) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone.

Molecular Properties

Compound Nameimidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone
PubChem CID86738426
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Nameimidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone
SMILESO=C1NCCN1.O=C=C1NCCNC1=C=O
InChIInChI=1S/C6H6N2O2.C3H6N2O/c9-3-5-6(4-10)8-2-1-7-5;6-3-4-1-2-5-3/h7-8H,1-2H2;1-2H2,(H2,4,5,6)
InChIKeyRGQONSDGXNTDOQ-UHFFFAOYSA-N
XLogP-2.09
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone?
The IUPAC name of imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone (CID 86738426) is imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone.
What is the SMILES notation for imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone?
The canonical SMILES for imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone is O=C1NCCN1.O=C=C1NCCNC1=C=O.
What is the InChIKey of imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone?
The InChIKey is RGQONSDGXNTDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.C3H6N2O/c9-3-5-6(4-10)8-2-1-7-5;6-3-4-1-2-5-3/h7-8H,1-2H2;1-2H2,(H2,4,5,6).
What are the key properties of imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone?
imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone has a molecular weight of 224.22 g/mol, XLogP of -2.09, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-2-one;[3-(oxomethylidene)piperazin-2-ylidene]methanone is sourced from PubChem (CID 86738426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).