1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione

C9H16N2O2 — CID 79778176

IUPAC1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione
SMILESCCC(C)(C)N1CCC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-9(2,3)11-6-5-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyCRTHXQZSAVVELN-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.12
Rot. Bonds2

About 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione

1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione (PubChem CID 79778176) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione
PubChem CID79778176
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione
SMILESCCC(C)(C)N1CCC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-4-9(2,3)11-6-5-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13)
InChIKeyCRTHXQZSAVVELN-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione (CID 79778176) is 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione is CCC(C)(C)N1CCC(=O)NC1=O.
What is the InChIKey of 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione?
The InChIKey is CRTHXQZSAVVELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-9(2,3)11-6-5-7(12)10-8(11)13/h4-6H2,1-3H3,(H,10,12,13).
What are the key properties of 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione?
1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79778176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).