ethane;1-ethyl-1,3-diazinan-2-one

C8H18N2O — CID 143383021

IUPACethane;1-ethyl-1,3-diazinan-2-one
SMILESCC.CCN1CCCNC1=O
InChIInChI=1S/C6H12N2O.C2H6/c1-2-8-5-3-4-7-6(8)9;1-2/h2-5H2,1H3,(H,7,9);1-2H3
InChIKeyJRPDHVHASUKRQA-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.45
Rot. Bonds1

About ethane;1-ethyl-1,3-diazinan-2-one

ethane;1-ethyl-1,3-diazinan-2-one (PubChem CID 143383021) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is ethane;1-ethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Nameethane;1-ethyl-1,3-diazinan-2-one
PubChem CID143383021
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Nameethane;1-ethyl-1,3-diazinan-2-one
SMILESCC.CCN1CCCNC1=O
InChIInChI=1S/C6H12N2O.C2H6/c1-2-8-5-3-4-7-6(8)9;1-2/h2-5H2,1H3,(H,7,9);1-2H3
InChIKeyJRPDHVHASUKRQA-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-1,3-diazinan-2-one?
The IUPAC name of ethane;1-ethyl-1,3-diazinan-2-one (CID 143383021) is ethane;1-ethyl-1,3-diazinan-2-one.
What is the SMILES notation for ethane;1-ethyl-1,3-diazinan-2-one?
The canonical SMILES for ethane;1-ethyl-1,3-diazinan-2-one is CC.CCN1CCCNC1=O.
What is the InChIKey of ethane;1-ethyl-1,3-diazinan-2-one?
The InChIKey is JRPDHVHASUKRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c1-2-8-5-3-4-7-6(8)9;1-2/h2-5H2,1H3,(H,7,9);1-2H3.
What are the key properties of ethane;1-ethyl-1,3-diazinan-2-one?
ethane;1-ethyl-1,3-diazinan-2-one has a molecular weight of 158.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-1,3-diazinan-2-one is sourced from PubChem (CID 143383021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).