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

C12H18N2O — CID 58488084

IUPACcyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(C1CC=CC1)N1CC2CNC(C2)C1
InChIInChI=1S/C12H18N2O/c15-12(10-3-1-2-4-10)14-7-9-5-11(8-14)13-6-9/h1-2,9-11,13H,3-8H2
InChIKeyJOYIUTFTOJKICT-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.77
Rot. Bonds1

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

cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 58488084) 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-3-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID58488084
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namecyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(C1CC=CC1)N1CC2CNC(C2)C1
InChIInChI=1S/C12H18N2O/c15-12(10-3-1-2-4-10)14-7-9-5-11(8-14)13-6-9/h1-2,9-11,13H,3-8H2
InChIKeyJOYIUTFTOJKICT-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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Related Compounds

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CID 71853667
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CID 59659347
N-[2-(azepan-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 51078146
Cyclopent-3-en-1-yl-(4-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 91921253
Cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
CID 45110663
Cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone
CID 45111386
Cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
CID 58488069
cyclopent-3-en-1-yl-[(1R,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 58488101
(E)-1-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]pent-3-en-1-one
CID 58488124
1-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]pent-3-en-1-one
CID 67130620
cyclopent-3-en-1-yl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 67130729
1,4,4a,5,6,6a,9,11a-Octahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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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-3-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone (CID 58488084) is cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone is O=C(C1CC=CC1)N1CC2CNC(C2)C1.
What is the InChIKey of cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is JOYIUTFTOJKICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12(10-3-1-2-4-10)14-7-9-5-11(8-14)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-3-yl)methanone?
cyclopent-3-en-1-yl(3,6-diazabicyclo[3.2.1]octan-3-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-3-yl)methanone is sourced from PubChem (CID 58488084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).