1,7-diazabicyclo[5.2.1]decan-10-one

C8H14N2O — CID 90224464

IUPAC1,7-diazabicyclo[5.2.1]decan-10-one
SMILESO=C1N2CCCCCN1CC2
InChIInChI=1S/C8H14N2O/c11-8-9-4-2-1-3-5-10(8)7-6-9/h1-7H2
InChIKeyLOCPVQZSQAAHPF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.91
Rot. Bonds

About 1,7-diazabicyclo[5.2.1]decan-10-one

1,7-diazabicyclo[5.2.1]decan-10-one (PubChem CID 90224464) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,7-diazabicyclo[5.2.1]decan-10-one.

Molecular Properties

Compound Name1,7-diazabicyclo[5.2.1]decan-10-one
PubChem CID90224464
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,7-diazabicyclo[5.2.1]decan-10-one
SMILESO=C1N2CCCCCN1CC2
InChIInChI=1S/C8H14N2O/c11-8-9-4-2-1-3-5-10(8)7-6-9/h1-7H2
InChIKeyLOCPVQZSQAAHPF-UHFFFAOYSA-N
XLogP0.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-piperidin-1-yl-1H-pyrimidin-6-one
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2,14-diisocyanato-1,8-diazabicyclo[6.6.1]pentadecan-15-one
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1-azabicyclo[5.3.1]undecan-11-one
CID 102419974
1-azabicyclo[6.3.1]dodecan-12-one
CID 122221043
2,6-di(piperidin-1-yl)-1,3,5-thiadiazin-4-one
CID 15063235
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
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Frequently Asked Questions

What is the IUPAC name of 1,7-diazabicyclo[5.2.1]decan-10-one?
The IUPAC name of 1,7-diazabicyclo[5.2.1]decan-10-one (CID 90224464) is 1,7-diazabicyclo[5.2.1]decan-10-one.
What is the SMILES notation for 1,7-diazabicyclo[5.2.1]decan-10-one?
The canonical SMILES for 1,7-diazabicyclo[5.2.1]decan-10-one is O=C1N2CCCCCN1CC2.
What is the InChIKey of 1,7-diazabicyclo[5.2.1]decan-10-one?
The InChIKey is LOCPVQZSQAAHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-9-4-2-1-3-5-10(8)7-6-9/h1-7H2.
What are the key properties of 1,7-diazabicyclo[5.2.1]decan-10-one?
1,7-diazabicyclo[5.2.1]decan-10-one has a molecular weight of 154.21 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazabicyclo[5.2.1]decan-10-one is sourced from PubChem (CID 90224464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).