(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione

C8H12N2O3 — CID 166510821

IUPAC(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
SMILESCC(C)C(=O)[C@H]1CC(=O)NC(=O)N1
InChIInChI=1S/C8H12N2O3/c1-4(2)7(12)5-3-6(11)10-8(13)9-5/h4-5H,3H2,1-2H3,(H2,9,10,11,13)/t5-/m1/s1
InChIKeyCLASYMKTUGCSHR-RXMQYKEDSA-N
MW184.19 g/mol
LogP-0.19
Rot. Bonds2

About (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione

(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione (PubChem CID 166510821) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
PubChem CID166510821
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
SMILESCC(C)C(=O)[C@H]1CC(=O)NC(=O)N1
InChIInChI=1S/C8H12N2O3/c1-4(2)7(12)5-3-6(11)10-8(13)9-5/h4-5H,3H2,1-2H3,(H2,9,10,11,13)/t5-/m1/s1
InChIKeyCLASYMKTUGCSHR-RXMQYKEDSA-N
XLogP-0.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
The IUPAC name of (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione (CID 166510821) is (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione is CC(C)C(=O)[C@H]1CC(=O)NC(=O)N1.
What is the InChIKey of (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
The InChIKey is CLASYMKTUGCSHR-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4(2)7(12)5-3-6(11)10-8(13)9-5/h4-5H,3H2,1-2H3,(H2,9,10,11,13)/t5-/m1/s1.
What are the key properties of (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166510821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).