cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone

C12H18N2O — CID 58488069

IUPACcyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
SMILESO=C(C1CC=CC1)N1CC2CNCC1C2
InChIInChI=1S/C12H18N2O/c15-12(10-3-1-2-4-10)14-8-9-5-11(14)7-13-6-9/h1-2,9-11,13H,3-8H2
InChIKeyZNEQFGNVYHVBOP-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.77
Rot. Bonds1

About cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone

cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 58488069) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID58488069
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namecyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
SMILESO=C(C1CC=CC1)N1CC2CNCC1C2
InChIInChI=1S/C12H18N2O/c15-12(10-3-1-2-4-10)14-8-9-5-11(14)7-13-6-9/h1-2,9-11,13H,3-8H2
InChIKeyZNEQFGNVYHVBOP-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.77
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[3.2.1]octan-6-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone (CID 58488069) is cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone is O=C(C1CC=CC1)N1CC2CNCC1C2.
What is the InChIKey of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is ZNEQFGNVYHVBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12(10-3-1-2-4-10)14-8-9-5-11(14)7-13-6-9/h1-2,9-11,13H,3-8H2.
What are the key properties of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone?
cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 0.77, 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[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 58488069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).