1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione

C12H20N2O3 — CID 106003016

IUPAC1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCC2CCCCO2)C(=O)CN1
InChIInChI=1S/C12H20N2O3/c15-11-5-7-14(12(16)9-13-11)6-4-10-3-1-2-8-17-10/h10H,1-9H2,(H,13,15)
InChIKeyZSUSQWKULXYBJC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds3

About 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione

1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione (PubChem CID 106003016) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
PubChem CID106003016
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCC2CCCCO2)C(=O)CN1
InChIInChI=1S/C12H20N2O3/c15-11-5-7-14(12(16)9-13-11)6-4-10-3-1-2-8-17-10/h10H,1-9H2,(H,13,15)
InChIKeyZSUSQWKULXYBJC-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione
CID 79516815
3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64882784
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249516
1-[2-(oxolan-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65166169
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
2-ethyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83250154
1-(thiolan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80587098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione (CID 106003016) is 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione is O=C1CCN(CCC2CCCCO2)C(=O)CN1.
What is the InChIKey of 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione?
The InChIKey is ZSUSQWKULXYBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11-5-7-14(12(16)9-13-11)6-4-10-3-1-2-8-17-10/h10H,1-9H2,(H,13,15).
What are the key properties of 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione?
1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 106003016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).