2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone

C12H18N2O — CID 71099590

IUPAC2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone
SMILESO=C(CC1C=CCC1)N1CC2CC(C1)N2
InChIInChI=1S/C12H18N2O/c15-12(5-9-3-1-2-4-9)14-7-10-6-11(8-14)13-10/h1,3,9-11,13H,2,4-8H2
InChIKeySCQZDZCGZMOONT-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.92
Rot. Bonds2

About 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone

2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone (PubChem CID 71099590) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone
PubChem CID71099590
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone
SMILESO=C(CC1C=CCC1)N1CC2CC(C1)N2
InChIInChI=1S/C12H18N2O/c15-12(5-9-3-1-2-4-9)14-7-10-6-11(8-14)13-10/h1,3,9-11,13H,2,4-8H2
InChIKeySCQZDZCGZMOONT-UHFFFAOYSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.92
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 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone (CID 71099590) is 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone is O=C(CC1C=CCC1)N1CC2CC(C1)N2.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone?
The InChIKey is SCQZDZCGZMOONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12(5-9-3-1-2-4-9)14-7-10-6-11(8-14)13-10/h1,3,9-11,13H,2,4-8H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone?
2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone is sourced from PubChem (CID 71099590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).