4-cyclopentyl-1,4-diazocan-5-one

C11H20N2O — CID 117015321

IUPAC4-cyclopentyl-1,4-diazocan-5-one
SMILESO=C1CCCNCCN1C1CCCC1
InChIInChI=1S/C11H20N2O/c14-11-6-3-7-12-8-9-13(11)10-4-1-2-5-10/h10,12H,1-9H2
InChIKeyXZTAXNIDRYLJMD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.14
Rot. Bonds1

About 4-cyclopentyl-1,4-diazocan-5-one

4-cyclopentyl-1,4-diazocan-5-one (PubChem CID 117015321) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-cyclopentyl-1,4-diazocan-5-one.

Molecular Properties

Compound Name4-cyclopentyl-1,4-diazocan-5-one
PubChem CID117015321
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-cyclopentyl-1,4-diazocan-5-one
SMILESO=C1CCCNCCN1C1CCCC1
InChIInChI=1S/C11H20N2O/c14-11-6-3-7-12-8-9-13(11)10-4-1-2-5-10/h10,12H,1-9H2
InChIKeyXZTAXNIDRYLJMD-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
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1-piperidin-4-yl-1,4-diazepan-2-one
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4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one
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1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1,4-diazocan-5-one?
The IUPAC name of 4-cyclopentyl-1,4-diazocan-5-one (CID 117015321) is 4-cyclopentyl-1,4-diazocan-5-one.
What is the SMILES notation for 4-cyclopentyl-1,4-diazocan-5-one?
The canonical SMILES for 4-cyclopentyl-1,4-diazocan-5-one is O=C1CCCNCCN1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1,4-diazocan-5-one?
The InChIKey is XZTAXNIDRYLJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-11-6-3-7-12-8-9-13(11)10-4-1-2-5-10/h10,12H,1-9H2.
What are the key properties of 4-cyclopentyl-1,4-diazocan-5-one?
4-cyclopentyl-1,4-diazocan-5-one has a molecular weight of 196.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1,4-diazocan-5-one is sourced from PubChem (CID 117015321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).