2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione

C10H15N3O3 — CID 136723604

IUPAC2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione
SMILESCC1(CN=C2NC(=O)C(=O)N2)CCOCC1
InChIInChI=1S/C10H15N3O3/c1-10(2-4-16-5-3-10)6-11-9-12-7(14)8(15)13-9/h2-6H2,1H3,(H2,11,12,13,14,15)
InChIKeyKKFNSHPIPGEGCY-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.59
Rot. Bonds2

About 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione

2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione (PubChem CID 136723604) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione.

Molecular Properties

Compound Name2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione
PubChem CID136723604
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione
SMILESCC1(CN=C2NC(=O)C(=O)N2)CCOCC1
InChIInChI=1S/C10H15N3O3/c1-10(2-4-16-5-3-10)6-11-9-12-7(14)8(15)13-9/h2-6H2,1H3,(H2,11,12,13,14,15)
InChIKeyKKFNSHPIPGEGCY-UHFFFAOYSA-N
XLogP-0.59
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione?
The IUPAC name of 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione (CID 136723604) is 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione.
What is the SMILES notation for 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione?
The canonical SMILES for 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione is CC1(CN=C2NC(=O)C(=O)N2)CCOCC1.
What is the InChIKey of 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione?
The InChIKey is KKFNSHPIPGEGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2-4-16-5-3-10)6-11-9-12-7(14)8(15)13-9/h2-6H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione?
2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione has a molecular weight of 225.25 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyloxan-4-yl)methylimino]imidazolidine-4,5-dione is sourced from PubChem (CID 136723604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).