(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione

C11H13N3O2 — CID 11447312

IUPAC(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione
SMILESCn1ccc2c1C(=O)N1CCC[C@H]1C(=O)N2
InChIInChI=1S/C11H13N3O2/c1-13-6-4-7-9(13)11(16)14-5-2-3-8(14)10(15)12-7/h4,6,8H,2-3,5H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyJHSIGMNBOIZXCS-QMMMGPOBSA-N
MW219.24 g/mol
LogP0.58
Rot. Bonds

About (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione

(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione (PubChem CID 11447312) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione.

Molecular Properties

Compound Name(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione
PubChem CID11447312
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione
SMILESCn1ccc2c1C(=O)N1CCC[C@H]1C(=O)N2
InChIInChI=1S/C11H13N3O2/c1-13-6-4-7-9(13)11(16)14-5-2-3-8(14)10(15)12-7/h4,6,8H,2-3,5H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyJHSIGMNBOIZXCS-QMMMGPOBSA-N
XLogP0.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(6aR)-2-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
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(6aS)-2-bromo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-dione
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7-iodo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 79290980
(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 124511746
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177
4-methyl-1,3,8-triazatricyclo[8.5.0.02,7]pentadeca-2(7),3,5-trien-9-one
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Frequently Asked Questions

What is the IUPAC name of (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione?
The IUPAC name of (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione (CID 11447312) is (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione.
What is the SMILES notation for (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione?
The canonical SMILES for (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione is Cn1ccc2c1C(=O)N1CCC[C@H]1C(=O)N2.
What is the InChIKey of (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione?
The InChIKey is JHSIGMNBOIZXCS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13-6-4-7-9(13)11(16)14-5-2-3-8(14)10(15)12-7/h4,6,8H,2-3,5H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione?
(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione has a molecular weight of 219.24 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione is sourced from PubChem (CID 11447312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).