(12R)-13-azabicyclo[10.2.0]tetradecan-14-one

C13H23NO — CID 58388573

IUPAC(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
SMILESO=C1N[C@@H]2CCCCCCCCCCC12
InChIInChI=1S/C13H23NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12(11)14-13/h11-12H,1-10H2,(H,14,15)/t11?,12-/m1/s1
InChIKeyQZGCOFZRRZPWHB-PIJUOVFKSA-N
MW209.33 g/mol
LogP3.02
Rot. Bonds

About (12R)-13-azabicyclo[10.2.0]tetradecan-14-one

(12R)-13-azabicyclo[10.2.0]tetradecan-14-one (PubChem CID 58388573) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (12R)-13-azabicyclo[10.2.0]tetradecan-14-one.

Molecular Properties

Compound Name(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
PubChem CID58388573
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
SMILESO=C1N[C@@H]2CCCCCCCCCCC12
InChIInChI=1S/C13H23NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12(11)14-13/h11-12H,1-10H2,(H,14,15)/t11?,12-/m1/s1
InChIKeyQZGCOFZRRZPWHB-PIJUOVFKSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (12R)-13-azabicyclo[10.2.0]tetradecan-14-one?
The IUPAC name of (12R)-13-azabicyclo[10.2.0]tetradecan-14-one (CID 58388573) is (12R)-13-azabicyclo[10.2.0]tetradecan-14-one.
What is the SMILES notation for (12R)-13-azabicyclo[10.2.0]tetradecan-14-one?
The canonical SMILES for (12R)-13-azabicyclo[10.2.0]tetradecan-14-one is O=C1N[C@@H]2CCCCCCCCCCC12.
What is the InChIKey of (12R)-13-azabicyclo[10.2.0]tetradecan-14-one?
The InChIKey is QZGCOFZRRZPWHB-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12(11)14-13/h11-12H,1-10H2,(H,14,15)/t11?,12-/m1/s1.
What are the key properties of (12R)-13-azabicyclo[10.2.0]tetradecan-14-one?
(12R)-13-azabicyclo[10.2.0]tetradecan-14-one has a molecular weight of 209.33 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-13-azabicyclo[10.2.0]tetradecan-14-one is sourced from PubChem (CID 58388573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).