(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C11H18N2O — CID 16637618

IUPAC(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C1CCCC2[C@H]3CNC[C@H](C3)CN12
InChIInChI=1S/C11H18N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h8-10,12H,1-7H2/t8-,9+,10?/m0/s1
InChIKeyKWVYCGMBGRYVQH-QIIDTADFSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds

About (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 16637618) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID16637618
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C1CCCC2[C@H]3CNC[C@H](C3)CN12
InChIInChI=1S/C11H18N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h8-10,12H,1-7H2/t8-,9+,10?/m0/s1
InChIKeyKWVYCGMBGRYVQH-QIIDTADFSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-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 (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 16637618) is (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C1CCCC2[C@H]3CNC[C@H](C3)CN12.
What is the InChIKey of (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is KWVYCGMBGRYVQH-QIIDTADFSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h8-10,12H,1-7H2/t8-,9+,10?/m0/s1.
What are the key properties of (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 194.28 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 16637618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).