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

C11H18N2O2 — CID 107421091

IUPAC1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione
SMILESCC1CCCC1CN1CCC(=O)NC1=O
InChIInChI=1S/C11H18N2O2/c1-8-3-2-4-9(8)7-13-6-5-10(14)12-11(13)15/h8-9H,2-7H2,1H3,(H,12,14,15)
InChIKeyMXAVWAWLPGKLCC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds2

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

1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 107421091) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID107421091
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione
SMILESCC1CCCC1CN1CCC(=O)NC1=O
InChIInChI=1S/C11H18N2O2/c1-8-3-2-4-9(8)7-13-6-5-10(14)12-11(13)15/h8-9H,2-7H2,1H3,(H,12,14,15)
InChIKeyMXAVWAWLPGKLCC-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione (CID 107421091) is 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione is CC1CCCC1CN1CCC(=O)NC1=O.
What is the InChIKey of 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is MXAVWAWLPGKLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-3-2-4-9(8)7-13-6-5-10(14)12-11(13)15/h8-9H,2-7H2,1H3,(H,12,14,15).
What are the key properties of 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione?
1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 107421091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).