1-(oxolane-2-carbonyl)-1,4-diazepan-5-one

C10H16N2O3 — CID 60707955

IUPAC1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)C2CCCO2)CCN1
InChIInChI=1S/C10H16N2O3/c13-9-3-5-12(6-4-11-9)10(14)8-2-1-7-15-8/h8H,1-7H2,(H,11,13)
InChIKeyGFFGPTFASSTTRR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds1

About 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one

1-(oxolane-2-carbonyl)-1,4-diazepan-5-one (PubChem CID 60707955) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
PubChem CID60707955
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)C2CCCO2)CCN1
InChIInChI=1S/C10H16N2O3/c13-9-3-5-12(6-4-11-9)10(14)8-2-1-7-15-8/h8H,1-7H2,(H,11,13)
InChIKeyGFFGPTFASSTTRR-UHFFFAOYSA-N
XLogP-0.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-2-one
CID 103872787
4-(oxetane-2-carbonyl)piperazin-2-one
CID 126989346
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
CID 62045065
1-[(2S,3S)-2-phenyloxane-3-carbonyl]-1,4-diazepan-5-one
CID 95589815
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484681
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one
CID 66008813
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
1-(adamantane-2-carbonyl)-1,4-diazepan-5-one
CID 78980747

Frequently Asked Questions

What is the IUPAC name of 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one (CID 60707955) is 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one is O=C1CCN(C(=O)C2CCCO2)CCN1.
What is the InChIKey of 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one?
The InChIKey is GFFGPTFASSTTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-3-5-12(6-4-11-9)10(14)8-2-1-7-15-8/h8H,1-7H2,(H,11,13).
What are the key properties of 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one?
1-(oxolane-2-carbonyl)-1,4-diazepan-5-one has a molecular weight of 212.25 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-2-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 60707955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).