1-propyl-1,3-diazinane-2,5-dione

C7H12N2O2 — CID 155748543

IUPAC1-propyl-1,3-diazinane-2,5-dione
SMILESCCCN1CC(=O)CNC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-9-5-6(10)4-8-7(9)11/h2-5H2,1H3,(H,8,11)
InChIKeyIUWRTKNSVLRNIW-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.01
Rot. Bonds2

About 1-propyl-1,3-diazinane-2,5-dione

1-propyl-1,3-diazinane-2,5-dione (PubChem CID 155748543) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-propyl-1,3-diazinane-2,5-dione.

Molecular Properties

Compound Name1-propyl-1,3-diazinane-2,5-dione
PubChem CID155748543
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-propyl-1,3-diazinane-2,5-dione
SMILESCCCN1CC(=O)CNC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-9-5-6(10)4-8-7(9)11/h2-5H2,1H3,(H,8,11)
InChIKeyIUWRTKNSVLRNIW-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-1,3-diazinane-2,5-dione?
The IUPAC name of 1-propyl-1,3-diazinane-2,5-dione (CID 155748543) is 1-propyl-1,3-diazinane-2,5-dione.
What is the SMILES notation for 1-propyl-1,3-diazinane-2,5-dione?
The canonical SMILES for 1-propyl-1,3-diazinane-2,5-dione is CCCN1CC(=O)CNC1=O.
What is the InChIKey of 1-propyl-1,3-diazinane-2,5-dione?
The InChIKey is IUWRTKNSVLRNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-9-5-6(10)4-8-7(9)11/h2-5H2,1H3,(H,8,11).
What are the key properties of 1-propyl-1,3-diazinane-2,5-dione?
1-propyl-1,3-diazinane-2,5-dione has a molecular weight of 156.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1,3-diazinane-2,5-dione is sourced from PubChem (CID 155748543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).