8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one

C13H9ClO — CID 102339497

IUPAC8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one
SMILESO=C1C=CC2C=CC1(Cl)c1ccccc12
InChIInChI=1S/C13H9ClO/c14-13-8-7-9(5-6-12(13)15)10-3-1-2-4-11(10)13/h1-9H
InChIKeyJASNWJPOAZVZHD-UHFFFAOYSA-N
MW216.67 g/mol
LogP2.91
Rot. Bonds

About 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one

8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one (PubChem CID 102339497) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one.

Molecular Properties

Compound Name8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one
PubChem CID102339497
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one
SMILESO=C1C=CC2C=CC1(Cl)c1ccccc12
InChIInChI=1S/C13H9ClO/c14-13-8-7-9(5-6-12(13)15)10-3-1-2-4-11(10)13/h1-9H
InChIKeyJASNWJPOAZVZHD-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one 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

8-phenylmethoxytricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one
CID 102339501
(15S,19R)-1-chloro-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 98268526
(5R)-4-azatetracyclo[10.2.2.01,5.06,11]hexadeca-6,8,10,13,15-pentaen-3-one
CID 94034838
(15R,19R)-1,8-dichloro-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 98229912
8,8-dichlorobicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 13182754
(4aR,8bR)-8b-bromo-4aH-biphenylene-1,4-dione
CID 10587604
(15R,19S)-1-chloro-17-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 7316730
3,3-dichloro-1H-indol-2-one
CID 719018
tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
CID 101227628
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
CID 99943945
CID 119078264
CID 119078264
(1S,2S,3S,6R,7R,8R)-1,8-dichloropentacyclo[6.6.2.13,6.02,7.09,14]heptadeca-4,9,11,13-tetraene-15,16-dione
CID 134937240

Frequently Asked Questions

What is the IUPAC name of 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
The IUPAC name of 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one (CID 102339497) is 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one.
What is the SMILES notation for 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
The canonical SMILES for 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one is O=C1C=CC2C=CC1(Cl)c1ccccc12.
What is the InChIKey of 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
The InChIKey is JASNWJPOAZVZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-13-8-7-9(5-6-12(13)15)10-3-1-2-4-11(10)13/h1-9H.
What are the key properties of 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one?
8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one has a molecular weight of 216.67 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorotricyclo[6.3.2.02,7]trideca-2,4,6,10,12-pentaen-9-one is sourced from PubChem (CID 102339497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).