(1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C10H7Cl4NO3 — CID 99947929

IUPAC(1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCON1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl
InChIInChI=1S/C10H7Cl4NO3/c1-18-15-7(16)3-4(8(15)17)10(14)2-9(3,13)5(11)6(10)12/h3-4H,2H2,1H3/t3-,4-,9+,10+/m1/s1
InChIKeyJEOOJQIJGAXGFV-JUVWJLFHSA-N
MW330.98 g/mol
LogP2.21
Rot. Bonds1

About (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 99947929) has the molecular formula C10H7Cl4NO3 and a molecular weight of 330.98 g/mol. Its IUPAC name is (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID99947929
Molecular FormulaC10H7Cl4NO3
Molecular Weight330.98 g/mol
Exact Mass328.92
IUPAC Name(1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCON1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl
InChIInChI=1S/C10H7Cl4NO3/c1-18-15-7(16)3-4(8(15)17)10(14)2-9(3,13)5(11)6(10)12/h3-4H,2H2,1H3/t3-,4-,9+,10+/m1/s1
InChIKeyJEOOJQIJGAXGFV-JUVWJLFHSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.98
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 99947929) is (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CON1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl.
What is the InChIKey of (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is JEOOJQIJGAXGFV-JUVWJLFHSA-N. The full InChI is InChI=1S/C10H7Cl4NO3/c1-18-15-7(16)3-4(8(15)17)10(14)2-9(3,13)5(11)6(10)12/h3-4H,2H2,1H3/t3-,4-,9+,10+/m1/s1.
What are the key properties of (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
(1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 330.98 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-1,7,8,9-tetrachloro-4-methoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 99947929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).