1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one

C11H20N2O2 — CID 117015418

IUPAC1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
SMILESO=C1CCCN(CC2CCCO2)CCN1
InChIInChI=1S/C11H20N2O2/c14-11-4-1-6-13(7-5-12-11)9-10-3-2-8-15-10/h10H,1-9H2,(H,12,14)
InChIKeyJSFWSZFARILHTA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one

1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one (PubChem CID 117015418) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
PubChem CID117015418
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
SMILESO=C1CCCN(CC2CCCO2)CCN1
InChIInChI=1S/C11H20N2O2/c14-11-4-1-6-13(7-5-12-11)9-10-3-2-8-15-10/h10H,1-9H2,(H,12,14)
InChIKeyJSFWSZFARILHTA-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221
1-(oxan-2-ylmethyl)piperazine
CID 14981447
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
CID 62045065
3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 7026051
3-(bromomethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 80680342
1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
CID 117014385
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]ethanol
CID 117003496
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one?
The IUPAC name of 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one (CID 117015418) is 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one is O=C1CCCN(CC2CCCO2)CCN1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one?
The InChIKey is JSFWSZFARILHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11-4-1-6-13(7-5-12-11)9-10-3-2-8-15-10/h10H,1-9H2,(H,12,14).
What are the key properties of 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one?
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one is sourced from PubChem (CID 117015418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).