(1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one

C13H24N2O — CID 110201224

IUPAC(1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCCCCCN[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H24N2O/c16-13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-15-13/h11-12,14H,1-10H2,(H,15,16)/t11-,12+/m1/s1
InChIKeyLOGUPMNNNMYXAE-NEPJUHHUSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds

About (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one

(1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one (PubChem CID 110201224) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
PubChem CID110201224
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCCCCCN[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H24N2O/c16-13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-15-13/h11-12,14H,1-10H2,(H,15,16)/t11-,12+/m1/s1
InChIKeyLOGUPMNNNMYXAE-NEPJUHHUSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The IUPAC name of (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one (CID 110201224) is (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one.
What is the SMILES notation for (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The canonical SMILES for (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one is O=C1NCCCCCCN[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The InChIKey is LOGUPMNNNMYXAE-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-15-13/h11-12,14H,1-10H2,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
(1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one has a molecular weight of 224.35 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2,9-diazabicyclo[9.4.0]pentadecan-10-one is sourced from PubChem (CID 110201224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).