(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C12H22N2O — CID 110199279

IUPAC(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCN[C@H]2CCC[C@@H]12
InChIInChI=1S/C12H22N2O/c15-12-10-6-5-7-11(10)13-8-3-1-2-4-9-14-12/h10-11,13H,1-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyBMWVYXFGEQCOFA-MNOVXSKESA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds

About (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199279) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199279
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCN[C@H]2CCC[C@@H]12
InChIInChI=1S/C12H22N2O/c15-12-10-6-5-7-11(10)13-8-3-1-2-4-9-14-12/h10-11,13H,1-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyBMWVYXFGEQCOFA-MNOVXSKESA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one 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 (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199279) is (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is O=C1NCCCCCCN[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is BMWVYXFGEQCOFA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O/c15-12-10-6-5-7-11(10)13-8-3-1-2-4-9-14-12/h10-11,13H,1-9H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 210.32 g/mol, XLogP of 1.43, 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[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).