cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone

C13H20N2O — CID 45110663

IUPACcyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
SMILESO=C(C1CC=CC1)N1CC2CCC(C1)NC2
InChIInChI=1S/C13H20N2O/c16-13(11-3-1-2-4-11)15-8-10-5-6-12(9-15)14-7-10/h1-2,10-12,14H,3-9H2
InChIKeyFFUWTEGAKOBTHP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.16
Rot. Bonds1

About cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone

cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone (PubChem CID 45110663) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
PubChem CID45110663
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namecyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
SMILESO=C(C1CC=CC1)N1CC2CCC(C1)NC2
InChIInChI=1S/C13H20N2O/c16-13(11-3-1-2-4-11)15-8-10-5-6-12(9-15)14-7-10/h1-2,10-12,14H,3-9H2
InChIKeyFFUWTEGAKOBTHP-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone (CID 45110663) is cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone is O=C(C1CC=CC1)N1CC2CCC(C1)NC2.
What is the InChIKey of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
The InChIKey is FFUWTEGAKOBTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13(11-3-1-2-4-11)15-8-10-5-6-12(9-15)14-7-10/h1-2,10-12,14H,3-9H2.
What are the key properties of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone?
cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone is sourced from PubChem (CID 45110663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).