1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione

C11H16N2O3 — CID 112598007

IUPAC1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCC1(CN2C(=O)CC(=O)NC2=O)CCCC1
InChIInChI=1S/C11H16N2O3/c1-11(4-2-3-5-11)7-13-9(15)6-8(14)12-10(13)16/h2-7H2,1H3,(H,12,14,16)
InChIKeyXSBZEONWTKZQAJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.04
Rot. Bonds2

About 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione

1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 112598007) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID112598007
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCC1(CN2C(=O)CC(=O)NC2=O)CCCC1
InChIInChI=1S/C11H16N2O3/c1-11(4-2-3-5-11)7-13-9(15)6-8(14)12-10(13)16/h2-7H2,1H3,(H,12,14,16)
InChIKeyXSBZEONWTKZQAJ-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione (CID 112598007) is 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione is CC1(CN2C(=O)CC(=O)NC2=O)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is XSBZEONWTKZQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(4-2-3-5-11)7-13-9(15)6-8(14)12-10(13)16/h2-7H2,1H3,(H,12,14,16).
What are the key properties of 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione?
1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 224.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).