6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione

C10H16N2O4 — CID 103160223

IUPAC6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione
SMILESCOC1CNC(=O)N(C2CCOC2)C(=O)C1
InChIInChI=1S/C10H16N2O4/c1-15-8-4-9(13)12(10(14)11-5-8)7-2-3-16-6-7/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyXQESPHZOBHGDPG-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.27
Rot. Bonds2

About 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione

6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione (PubChem CID 103160223) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione
PubChem CID103160223
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione
SMILESCOC1CNC(=O)N(C2CCOC2)C(=O)C1
InChIInChI=1S/C10H16N2O4/c1-15-8-4-9(13)12(10(14)11-5-8)7-2-3-16-6-7/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyXQESPHZOBHGDPG-UHFFFAOYSA-N
XLogP-0.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione?
The IUPAC name of 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione (CID 103160223) is 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione.
What is the SMILES notation for 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione?
The canonical SMILES for 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione is COC1CNC(=O)N(C2CCOC2)C(=O)C1.
What is the InChIKey of 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione?
The InChIKey is XQESPHZOBHGDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-15-8-4-9(13)12(10(14)11-5-8)7-2-3-16-6-7/h7-8H,2-6H2,1H3,(H,11,14).
What are the key properties of 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione?
6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione has a molecular weight of 228.25 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(oxolan-3-yl)-1,3-diazepane-2,4-dione is sourced from PubChem (CID 103160223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).