1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione

C10H16N2O3 — CID 64884557

IUPAC1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CCOC2)C(=O)CN1
InChIInChI=1S/C10H16N2O3/c13-9-1-3-12(10(14)5-11-9)6-8-2-4-15-7-8/h8H,1-7H2,(H,11,13)
InChIKeyBSNAZTSQQYCPDQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.63
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione

1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 64884557) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
PubChem CID64884557
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CC2CCOC2)C(=O)CN1
InChIInChI=1S/C10H16N2O3/c13-9-1-3-12(10(14)5-11-9)6-8-2-4-15-7-8/h8H,1-7H2,(H,11,13)
InChIKeyBSNAZTSQQYCPDQ-UHFFFAOYSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione (CID 64884557) is 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione is O=C1CCN(CC2CCOC2)C(=O)CN1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is BSNAZTSQQYCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-1-3-12(10(14)5-11-9)6-8-2-4-15-7-8/h8H,1-7H2,(H,11,13).
What are the key properties of 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione?
1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64884557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).