1-oxa-4,8-diazacycloundecan-5-one

C8H16N2O2 — CID 110201627

IUPAC1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCNCCCOCCN1
InChIInChI=1S/C8H16N2O2/c11-8-2-4-9-3-1-6-12-7-5-10-8/h9H,1-7H2,(H,10,11)
InChIKeyYSUMSBOQVYWQCA-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.50
Rot. Bonds

About 1-oxa-4,8-diazacycloundecan-5-one

1-oxa-4,8-diazacycloundecan-5-one (PubChem CID 110201627) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-oxa-4,8-diazacycloundecan-5-one.

Molecular Properties

Compound Name1-oxa-4,8-diazacycloundecan-5-one
PubChem CID110201627
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCNCCCOCCN1
InChIInChI=1S/C8H16N2O2/c11-8-2-4-9-3-1-6-12-7-5-10-8/h9H,1-7H2,(H,10,11)
InChIKeyYSUMSBOQVYWQCA-UHFFFAOYSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
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N,N'-bis(3-methoxypropyl)propanediamide
CID 364513
3-Amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-YL)propan-1-one
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N-methyl-3-morpholin-4-ylpropanamide
CID 21035093
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide
CID 142615836
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,8-diazacycloundecan-5-one?
The IUPAC name of 1-oxa-4,8-diazacycloundecan-5-one (CID 110201627) is 1-oxa-4,8-diazacycloundecan-5-one.
What is the SMILES notation for 1-oxa-4,8-diazacycloundecan-5-one?
The canonical SMILES for 1-oxa-4,8-diazacycloundecan-5-one is O=C1CCNCCCOCCN1.
What is the InChIKey of 1-oxa-4,8-diazacycloundecan-5-one?
The InChIKey is YSUMSBOQVYWQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-8-2-4-9-3-1-6-12-7-5-10-8/h9H,1-7H2,(H,10,11).
What are the key properties of 1-oxa-4,8-diazacycloundecan-5-one?
1-oxa-4,8-diazacycloundecan-5-one has a molecular weight of 172.23 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,8-diazacycloundecan-5-one is sourced from PubChem (CID 110201627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).