(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione

C10H10N2O2 — CID 6947146

IUPAC(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione
SMILESO=C1N[C@H]2C=C[C@H]1[C@@H]1C=C[C@H]2C(=O)N1
InChIInChI=1S/C10H10N2O2/c13-9-5-1-3-7(11-9)6-2-4-8(5)12-10(6)14/h1-8H,(H,11,13)(H,12,14)/t5-,6+,7-,8-/m0/s1
InChIKeyWYMWYRQOKYYHPS-YWIQKCBGSA-N
MW190.20 g/mol
LogP-0.66
Rot. Bonds

About (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione

(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione (PubChem CID 6947146) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione.

Molecular Properties

Compound Name(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione
PubChem CID6947146
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione
SMILESO=C1N[C@H]2C=C[C@H]1[C@@H]1C=C[C@H]2C(=O)N1
InChIInChI=1S/C10H10N2O2/c13-9-5-1-3-7(11-9)6-2-4-8(5)12-10(6)14/h1-8H,(H,11,13)(H,12,14)/t5-,6+,7-,8-/m0/s1
InChIKeyWYMWYRQOKYYHPS-YWIQKCBGSA-N
XLogP-0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-azabicyclo[2.2.0]hex-5-en-3-one
CID 542871
(1S,8S,9S,12R)-10-azatetracyclo[6.4.2.29,12.02,7]hexadeca-2,4,6,13,15-pentaen-11-one
CID 10846733
(1R,4R,7R,8R)-5-azatricyclo[5.3.2.04,8]dodeca-2,9,11-trien-6-one
CID 124916328
bicyclo[2.1.0]pent-2-en-5-one
CID 71441751
(1S,5R)-8-hydroxy-6-azabicyclo[3.2.1]oct-3-en-7-one
CID 101030996
2-amino-5-methyl-2,5-dihydro-1H-pyridin-6-one
CID 163931922
3-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one
CID 24975589
7a-deuterio-3aH-isoindole-1,3-dione
CID 175749281
(1R,4S,7R,8S)-7,8-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-one
CID 10909755
3-azatricyclo[4.2.2.02,5]deca-7,9-dien-4-one
CID 55286164
(4aS,8aS)-3-methyl-2-sulfanylidene-4a,8a-dihydro-1H-quinazolin-4-one
CID 7859195
11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one
CID 121002695

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione?
The IUPAC name of (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione (CID 6947146) is (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione.
What is the SMILES notation for (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione?
The canonical SMILES for (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione is O=C1N[C@H]2C=C[C@H]1[C@@H]1C=C[C@H]2C(=O)N1.
What is the InChIKey of (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione?
The InChIKey is WYMWYRQOKYYHPS-YWIQKCBGSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-5-1-3-7(11-9)6-2-4-8(5)12-10(6)14/h1-8H,(H,11,13)(H,12,14)/t5-,6+,7-,8-/m0/s1.
What are the key properties of (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione?
(1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione has a molecular weight of 190.20 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6S)-3,7-diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione is sourced from PubChem (CID 6947146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).