1-(2-methoxyethyl)-1,4-diazepane-2,5-dione

C8H14N2O3 — CID 64882784

IUPAC1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
SMILESCOCCN1CCC(=O)NCC1=O
InChIInChI=1S/C8H14N2O3/c1-13-5-4-10-3-2-7(11)9-6-8(10)12/h2-6H2,1H3,(H,9,11)
InChIKeyXZMUSTNAWWBBMJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.02
Rot. Bonds3

About 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione

1-(2-methoxyethyl)-1,4-diazepane-2,5-dione (PubChem CID 64882784) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
PubChem CID64882784
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
SMILESCOCCN1CCC(=O)NCC1=O
InChIInChI=1S/C8H14N2O3/c1-13-5-4-10-3-2-7(11)9-6-8(10)12/h2-6H2,1H3,(H,9,11)
InChIKeyXZMUSTNAWWBBMJ-UHFFFAOYSA-N
XLogP-1.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione (CID 64882784) is 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione is COCCN1CCC(=O)NCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione?
The InChIKey is XZMUSTNAWWBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-5-4-10-3-2-7(11)9-6-8(10)12/h2-6H2,1H3,(H,9,11).
What are the key properties of 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione?
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione has a molecular weight of 186.21 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).