10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C11H12Cl2N2O — CID 165342131

IUPAC10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cccc2n1CC1CC2C(Cl)NC1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-10-6-4-7(11(13)14-10)8-2-1-3-9(16)15(8)5-6/h1-3,6-7,10-11,14H,4-5H2
InChIKeyZWPJPIJCBRTJIB-UHFFFAOYSA-N
MW259.14 g/mol
LogP1.68
Rot. Bonds

About 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 165342131) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID165342131
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cccc2n1CC1CC2C(Cl)NC1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-10-6-4-7(11(13)14-10)8-2-1-3-9(16)15(8)5-6/h1-3,6-7,10-11,14H,4-5H2
InChIKeyZWPJPIJCBRTJIB-UHFFFAOYSA-N
XLogP1.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066966
(1S,9R,10R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163104393
(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
CID 6551054
(1R,2R,10R)-15-methyl-4,12-diazatetracyclo[8.5.0.02,13.04,9]pentadeca-6,8-dien-5-one
CID 72945608
(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 5351589
(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
CID 102034066
(1R,9S)-11-(111C)methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 10655771
11-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171157233
(1S,9S,10R)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 11859174
7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;phosphoric acid
CID 42641684
(1S,9S)-11-hydroxy-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163157728
(1R,9S)-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one bromide
CID 139062774

Frequently Asked Questions

What is the IUPAC name of 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 165342131) is 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=c1cccc2n1CC1CC2C(Cl)NC1Cl.
What is the InChIKey of 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is ZWPJPIJCBRTJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-10-6-4-7(11(13)14-10)8-2-1-3-9(16)15(8)5-6/h1-3,6-7,10-11,14H,4-5H2.
What are the key properties of 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 259.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 165342131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).