cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

C11H18N2O — CID 89273597

IUPACcyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CC(C1)N2
InChIInChI=1S/C11H18N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h8-10,12H,1-7H2
InChIKeyJWEOQIUDCVEFPL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds1

About cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (PubChem CID 89273597) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
PubChem CID89273597
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CCCC1)N1CC2CC(C1)N2
InChIInChI=1S/C11H18N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h8-10,12H,1-7H2
InChIKeyJWEOQIUDCVEFPL-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The IUPAC name of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (CID 89273597) is cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.
What is the SMILES notation for cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The canonical SMILES for cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is O=C(C1CCCC1)N1CC2CC(C1)N2.
What is the InChIKey of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The InChIKey is JWEOQIUDCVEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h8-10,12H,1-7H2.
What are the key properties of cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is sourced from PubChem (CID 89273597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).