(9R)-9-benzyl-1,4-diazonan-5-one

C14H20N2O — CID 142448424

IUPAC(9R)-9-benzyl-1,4-diazonan-5-one
SMILESO=C1CCC[C@H](Cc2ccccc2)NCCN1
InChIInChI=1S/C14H20N2O/c17-14-8-4-7-13(15-9-10-16-14)11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)/t13-/m1/s1
InChIKeyHJXBZINUFKLGRB-CYBMUJFWSA-N
MW232.33 g/mol
LogP1.49
Rot. Bonds2

About (9R)-9-benzyl-1,4-diazonan-5-one

(9R)-9-benzyl-1,4-diazonan-5-one (PubChem CID 142448424) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (9R)-9-benzyl-1,4-diazonan-5-one.

Molecular Properties

Compound Name(9R)-9-benzyl-1,4-diazonan-5-one
PubChem CID142448424
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(9R)-9-benzyl-1,4-diazonan-5-one
SMILESO=C1CCC[C@H](Cc2ccccc2)NCCN1
InChIInChI=1S/C14H20N2O/c17-14-8-4-7-13(15-9-10-16-14)11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)/t13-/m1/s1
InChIKeyHJXBZINUFKLGRB-CYBMUJFWSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-benzyl-1,4-diazonan-5-one?
The IUPAC name of (9R)-9-benzyl-1,4-diazonan-5-one (CID 142448424) is (9R)-9-benzyl-1,4-diazonan-5-one.
What is the SMILES notation for (9R)-9-benzyl-1,4-diazonan-5-one?
The canonical SMILES for (9R)-9-benzyl-1,4-diazonan-5-one is O=C1CCC[C@H](Cc2ccccc2)NCCN1.
What is the InChIKey of (9R)-9-benzyl-1,4-diazonan-5-one?
The InChIKey is HJXBZINUFKLGRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-8-4-7-13(15-9-10-16-14)11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)/t13-/m1/s1.
What are the key properties of (9R)-9-benzyl-1,4-diazonan-5-one?
(9R)-9-benzyl-1,4-diazonan-5-one has a molecular weight of 232.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-benzyl-1,4-diazonan-5-one is sourced from PubChem (CID 142448424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).