(7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione

C13H22N2O2 — CID 58488891

IUPAC(7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione
SMILESCCCC[C@@H]1C(=O)N[C@@H]2CN1CCCCC2=O
InChIInChI=1S/C13H22N2O2/c1-2-3-6-11-13(17)14-10-9-15(11)8-5-4-7-12(10)16/h10-11H,2-9H2,1H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyJDBOEQWYHBVQOU-GHMZBOCLSA-N
MW238.33 g/mol
LogP1.10
Rot. Bonds3

About (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione

(7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione (PubChem CID 58488891) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione.

Molecular Properties

Compound Name(7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione
PubChem CID58488891
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione
SMILESCCCC[C@@H]1C(=O)N[C@@H]2CN1CCCCC2=O
InChIInChI=1S/C13H22N2O2/c1-2-3-6-11-13(17)14-10-9-15(11)8-5-4-7-12(10)16/h10-11H,2-9H2,1H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyJDBOEQWYHBVQOU-GHMZBOCLSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione with MolForge

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Related Compounds

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CID 174843360
(2R)-2-pentylcyclohexan-1-one
CID 86310435
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CID 174247706
2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923
2-nonylcyclododecan-1-one
CID 14296722
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
2-(3-oxoheptyl)cyclohexan-1-one
CID 71341464
3-acetyl-1-butylpiperidin-4-one
CID 162240163
2-decylcyclopentan-1-one
CID 12823821
2-octylcyclohexane-1,3-dione
CID 102322610
(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one
CID 134922520

Frequently Asked Questions

What is the IUPAC name of (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione?
The IUPAC name of (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione (CID 58488891) is (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione.
What is the SMILES notation for (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione?
The canonical SMILES for (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione is CCCC[C@@H]1C(=O)N[C@@H]2CN1CCCCC2=O.
What is the InChIKey of (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione?
The InChIKey is JDBOEQWYHBVQOU-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-3-6-11-13(17)14-10-9-15(11)8-5-4-7-12(10)16/h10-11H,2-9H2,1H3,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione?
(7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione has a molecular weight of 238.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10R)-10-butyl-1,8-diazabicyclo[5.3.1]undecane-6,9-dione is sourced from PubChem (CID 58488891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).