ethane;3-methyl-1,3-diazinan-4-one

C7H16N2O — CID 143954567

IUPACethane;3-methyl-1,3-diazinan-4-one
SMILESCC.CN1CNCCC1=O
InChIInChI=1S/C5H10N2O.C2H6/c1-7-4-6-3-2-5(7)8;1-2/h6H,2-4H2,1H3;1-2H3
InChIKeyHQQNMOJBRMNWJO-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.42
Rot. Bonds

About ethane;3-methyl-1,3-diazinan-4-one

ethane;3-methyl-1,3-diazinan-4-one (PubChem CID 143954567) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is ethane;3-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Nameethane;3-methyl-1,3-diazinan-4-one
PubChem CID143954567
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Nameethane;3-methyl-1,3-diazinan-4-one
SMILESCC.CN1CNCCC1=O
InChIInChI=1S/C5H10N2O.C2H6/c1-7-4-6-3-2-5(7)8;1-2/h6H,2-4H2,1H3;1-2H3
InChIKeyHQQNMOJBRMNWJO-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-diazinan-4-one?
The IUPAC name of ethane;3-methyl-1,3-diazinan-4-one (CID 143954567) is ethane;3-methyl-1,3-diazinan-4-one.
What is the SMILES notation for ethane;3-methyl-1,3-diazinan-4-one?
The canonical SMILES for ethane;3-methyl-1,3-diazinan-4-one is CC.CN1CNCCC1=O.
What is the InChIKey of ethane;3-methyl-1,3-diazinan-4-one?
The InChIKey is HQQNMOJBRMNWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2H6/c1-7-4-6-3-2-5(7)8;1-2/h6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,3-diazinan-4-one?
ethane;3-methyl-1,3-diazinan-4-one has a molecular weight of 144.22 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 143954567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).