1-(5-acetyl-1,5-diazocan-1-yl)ethanone

C10H18N2O2 — CID 20593102

IUPAC1-(5-acetyl-1,5-diazocan-1-yl)ethanone
SMILESCC(=O)N1CCCN(C(C)=O)CCC1
InChIInChI=1S/C10H18N2O2/c1-9(13)11-5-3-7-12(10(2)14)8-4-6-11/h3-8H2,1-2H3
InChIKeyRFWXSQLQRRAEIC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.48
Rot. Bonds

About 1-(5-acetyl-1,5-diazocan-1-yl)ethanone

1-(5-acetyl-1,5-diazocan-1-yl)ethanone (PubChem CID 20593102) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(5-acetyl-1,5-diazocan-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-1,5-diazocan-1-yl)ethanone
PubChem CID20593102
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(5-acetyl-1,5-diazocan-1-yl)ethanone
SMILESCC(=O)N1CCCN(C(C)=O)CCC1
InChIInChI=1S/C10H18N2O2/c1-9(13)11-5-3-7-12(10(2)14)8-4-6-11/h3-8H2,1-2H3
InChIKeyRFWXSQLQRRAEIC-UHFFFAOYSA-N
XLogP0.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1,5-diazocan-1-yl)ethanone?
The IUPAC name of 1-(5-acetyl-1,5-diazocan-1-yl)ethanone (CID 20593102) is 1-(5-acetyl-1,5-diazocan-1-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-1,5-diazocan-1-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-1,5-diazocan-1-yl)ethanone is CC(=O)N1CCCN(C(C)=O)CCC1.
What is the InChIKey of 1-(5-acetyl-1,5-diazocan-1-yl)ethanone?
The InChIKey is RFWXSQLQRRAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(13)11-5-3-7-12(10(2)14)8-4-6-11/h3-8H2,1-2H3.
What are the key properties of 1-(5-acetyl-1,5-diazocan-1-yl)ethanone?
1-(5-acetyl-1,5-diazocan-1-yl)ethanone has a molecular weight of 198.27 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1,5-diazocan-1-yl)ethanone is sourced from PubChem (CID 20593102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).