1-butyl-1,3-diazinan-2-one

C8H16N2O — CID 19964652

IUPAC1-butyl-1,3-diazinan-2-one
SMILESCCCCN1CCCNC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-6-10-7-4-5-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyMNBUUSJKVSKGSJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.20
Rot. Bonds3

About 1-butyl-1,3-diazinan-2-one

1-butyl-1,3-diazinan-2-one (PubChem CID 19964652) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-butyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-butyl-1,3-diazinan-2-one
PubChem CID19964652
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-butyl-1,3-diazinan-2-one
SMILESCCCCN1CCCNC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-6-10-7-4-5-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyMNBUUSJKVSKGSJ-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,3-diazinan-2-one?
The IUPAC name of 1-butyl-1,3-diazinan-2-one (CID 19964652) is 1-butyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-butyl-1,3-diazinan-2-one?
The canonical SMILES for 1-butyl-1,3-diazinan-2-one is CCCCN1CCCNC1=O.
What is the InChIKey of 1-butyl-1,3-diazinan-2-one?
The InChIKey is MNBUUSJKVSKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-6-10-7-4-5-9-8(10)11/h2-7H2,1H3,(H,9,11).
What are the key properties of 1-butyl-1,3-diazinan-2-one?
1-butyl-1,3-diazinan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,3-diazinan-2-one is sourced from PubChem (CID 19964652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).