3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione

C9H14N2O2 — CID 103936522

IUPAC3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione
SMILESCC1(CN2C(=O)CNC2=O)CCC1
InChIInChI=1S/C9H14N2O2/c1-9(3-2-4-9)6-11-7(12)5-10-8(11)13/h2-6H2,1H3,(H,10,13)
InChIKeyZMKRQOCAFTWOBP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.73
Rot. Bonds2

About 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione

3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione (PubChem CID 103936522) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione
PubChem CID103936522
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione
SMILESCC1(CN2C(=O)CNC2=O)CCC1
InChIInChI=1S/C9H14N2O2/c1-9(3-2-4-9)6-11-7(12)5-10-8(11)13/h2-6H2,1H3,(H,10,13)
InChIKeyZMKRQOCAFTWOBP-UHFFFAOYSA-N
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione (CID 103936522) is 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione is CC1(CN2C(=O)CNC2=O)CCC1.
What is the InChIKey of 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZMKRQOCAFTWOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(3-2-4-9)6-11-7(12)5-10-8(11)13/h2-6H2,1H3,(H,10,13).
What are the key properties of 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione?
3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclobutyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103936522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).