N-(2-oxo-1,3-diazinan-4-yl)acetamide

C6H11N3O2 — CID 45051553

IUPACN-(2-oxo-1,3-diazinan-4-yl)acetamide
SMILESCC(=O)NC1CCNC(=O)N1
InChIInChI=1S/C6H11N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h5H,2-3H2,1H3,(H,8,10)(H2,7,9,11)
InChIKeyWQSNLWQYPSTLEI-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.85
Rot. Bonds1

About N-(2-oxo-1,3-diazinan-4-yl)acetamide

N-(2-oxo-1,3-diazinan-4-yl)acetamide (PubChem CID 45051553) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-(2-oxo-1,3-diazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-diazinan-4-yl)acetamide
PubChem CID45051553
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC NameN-(2-oxo-1,3-diazinan-4-yl)acetamide
SMILESCC(=O)NC1CCNC(=O)N1
InChIInChI=1S/C6H11N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h5H,2-3H2,1H3,(H,8,10)(H2,7,9,11)
InChIKeyWQSNLWQYPSTLEI-UHFFFAOYSA-N
XLogP-0.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-diazinan-4-yl)acetamide?
The IUPAC name of N-(2-oxo-1,3-diazinan-4-yl)acetamide (CID 45051553) is N-(2-oxo-1,3-diazinan-4-yl)acetamide.
What is the SMILES notation for N-(2-oxo-1,3-diazinan-4-yl)acetamide?
The canonical SMILES for N-(2-oxo-1,3-diazinan-4-yl)acetamide is CC(=O)NC1CCNC(=O)N1.
What is the InChIKey of N-(2-oxo-1,3-diazinan-4-yl)acetamide?
The InChIKey is WQSNLWQYPSTLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h5H,2-3H2,1H3,(H,8,10)(H2,7,9,11).
What are the key properties of N-(2-oxo-1,3-diazinan-4-yl)acetamide?
N-(2-oxo-1,3-diazinan-4-yl)acetamide has a molecular weight of 157.17 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-diazinan-4-yl)acetamide is sourced from PubChem (CID 45051553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).