(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione

C12H20N2O2 — CID 101377557

IUPAC(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione
SMILESC[C@@H]1NC(=O)C2CCCCCCC2NC1=O
InChIInChI=1S/C12H20N2O2/c1-8-11(15)14-10-7-5-3-2-4-6-9(10)12(16)13-8/h8-10H,2-7H2,1H3,(H,13,16)(H,14,15)/t8-,9?,10?/m0/s1
InChIKeyCUCLYDVBIMOABJ-IDKOKCKLSA-N
MW224.30 g/mol
LogP0.96
Rot. Bonds

About (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione

(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione (PubChem CID 101377557) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione.

Molecular Properties

Compound Name(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione
PubChem CID101377557
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione
SMILESC[C@@H]1NC(=O)C2CCCCCCC2NC1=O
InChIInChI=1S/C12H20N2O2/c1-8-11(15)14-10-7-5-3-2-4-6-9(10)12(16)13-8/h8-10H,2-7H2,1H3,(H,13,16)(H,14,15)/t8-,9?,10?/m0/s1
InChIKeyCUCLYDVBIMOABJ-IDKOKCKLSA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58388573
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6-azabicyclo[3.2.0]heptan-7-one
CID 549320
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
2-sulfanylidene-1,4a,5,6,7,8,9,9a-octahydrocyclohepta[d]pyrimidin-4-one
CID 78298951
(3S,5aS,9aR)-4-ethyl-3-methyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[e][1,4]diazepine-2,5-dione
CID 132915230
(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 131041871
(1R,9S)-5,5-dimethyl-4,6-dioxa-10-azabicyclo[7.2.0]undecan-11-one
CID 102031109
1,3,4,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]diazepine-2,5-dione
CID 86227949
9-methylbicyclo[5.2.0]nonan-8-one
CID 12721699
(3S)-3-benzyl-1,3,4,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]diazepine-2,5-dione
CID 101377555
(2R,4aR,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
CID 7074849

Frequently Asked Questions

What is the IUPAC name of (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione?
The IUPAC name of (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione (CID 101377557) is (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione.
What is the SMILES notation for (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione?
The canonical SMILES for (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione is C[C@@H]1NC(=O)C2CCCCCCC2NC1=O.
What is the InChIKey of (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione?
The InChIKey is CUCLYDVBIMOABJ-IDKOKCKLSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-11(15)14-10-7-5-3-2-4-6-9(10)12(16)13-8/h8-10H,2-7H2,1H3,(H,13,16)(H,14,15)/t8-,9?,10?/m0/s1.
What are the key properties of (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione?
(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione has a molecular weight of 224.30 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione is sourced from PubChem (CID 101377557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).