1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one

C10H20N2O2 — CID 21270270

IUPAC1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
SMILESCCCCN1CCCN(CCO)C1=O
InChIInChI=1S/C10H20N2O2/c1-2-3-5-11-6-4-7-12(8-9-13)10(11)14/h13H,2-9H2,1H3
InChIKeyXYOVBCKQPLFGHX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.91
Rot. Bonds5

About 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one

1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one (PubChem CID 21270270) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
PubChem CID21270270
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
SMILESCCCCN1CCCN(CCO)C1=O
InChIInChI=1S/C10H20N2O2/c1-2-3-5-11-6-4-7-12(8-9-13)10(11)14/h13H,2-9H2,1H3
InChIKeyXYOVBCKQPLFGHX-UHFFFAOYSA-N
XLogP0.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one (CID 21270270) is 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one is CCCCN1CCCN(CCO)C1=O.
What is the InChIKey of 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one?
The InChIKey is XYOVBCKQPLFGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-5-11-6-4-7-12(8-9-13)10(11)14/h13H,2-9H2,1H3.
What are the key properties of 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one?
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 21270270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).