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

C11H20N2O2 — CID 117014385

IUPAC1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
SMILESO=C1CCNCCCN1CC1CCCO1
InChIInChI=1S/C11H20N2O2/c14-11-4-6-12-5-2-7-13(11)9-10-3-1-8-15-10/h10,12H,1-9H2
InChIKeyDYXZWYCSQSFYDL-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds2

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

1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one (PubChem CID 117014385) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
PubChem CID117014385
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
SMILESO=C1CCNCCCN1CC1CCCO1
InChIInChI=1S/C11H20N2O2/c14-11-4-6-12-5-2-7-13(11)9-10-3-1-8-15-10/h10,12H,1-9H2
InChIKeyDYXZWYCSQSFYDL-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

2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 129372530
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
1-(oxolan-2-ylmethyl)pyrrolidin-2-imine
CID 43121893
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456
1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
CID 155126020
4-(oxolan-2-yl)-1,4-diazepan-5-one
CID 115100440
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
(4R)-4-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-2-one
CID 28815490
4-chloro-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 168687103
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
2-(oxolan-2-ylmethyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015219

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one?
The IUPAC name of 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one (CID 117014385) is 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one is O=C1CCNCCCN1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one?
The InChIKey is DYXZWYCSQSFYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11-4-6-12-5-2-7-13(11)9-10-3-1-8-15-10/h10,12H,1-9H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one?
1-(oxolan-2-ylmethyl)-1,5-diazocan-2-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)-1,5-diazocan-2-one is sourced from PubChem (CID 117014385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).