6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one

C12H9Cl2NO — CID 67377153

IUPAC6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H9Cl2NO/c13-8-4-7-6-2-1-3-11(16)12(6)15-10(7)5-9(8)14/h4-5,15H,1-3H2
InChIKeyAJXKPHCJOVHXJK-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.99
Rot. Bonds

About 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one

6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one (PubChem CID 67377153) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one.

Molecular Properties

Compound Name6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one
PubChem CID67377153
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H9Cl2NO/c13-8-4-7-6-2-1-3-11(16)12(6)15-10(7)5-9(8)14/h4-5,15H,1-3H2
InChIKeyAJXKPHCJOVHXJK-UHFFFAOYSA-N
XLogP3.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one?
The IUPAC name of 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one (CID 67377153) is 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one.
What is the SMILES notation for 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one?
The canonical SMILES for 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one is O=C1CCCc2c1[nH]c1cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one?
The InChIKey is AJXKPHCJOVHXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-8-4-7-6-2-1-3-11(16)12(6)15-10(7)5-9(8)14/h4-5,15H,1-3H2.
What are the key properties of 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one?
6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one has a molecular weight of 254.12 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2,3,4,9-tetrahydrocarbazol-1-one is sourced from PubChem (CID 67377153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).