5-amino-4,6-dichloro-2,3-dihydroinden-1-one

C9H7Cl2NO — CID 138590483

IUPAC5-amino-4,6-dichloro-2,3-dihydroinden-1-one
SMILESNc1c(Cl)cc2c(c1Cl)CCC2=O
InChIInChI=1S/C9H7Cl2NO/c10-6-3-5-4(1-2-7(5)13)8(11)9(6)12/h3H,1-2,12H2
InChIKeyALSKSPAFGUVSLD-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.70
Rot. Bonds

About 5-amino-4,6-dichloro-2,3-dihydroinden-1-one

5-amino-4,6-dichloro-2,3-dihydroinden-1-one (PubChem CID 138590483) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 5-amino-4,6-dichloro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-amino-4,6-dichloro-2,3-dihydroinden-1-one
PubChem CID138590483
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name5-amino-4,6-dichloro-2,3-dihydroinden-1-one
SMILESNc1c(Cl)cc2c(c1Cl)CCC2=O
InChIInChI=1S/C9H7Cl2NO/c10-6-3-5-4(1-2-7(5)13)8(11)9(6)12/h3H,1-2,12H2
InChIKeyALSKSPAFGUVSLD-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,6-dichloro-2,3-dihydroinden-1-one?
The IUPAC name of 5-amino-4,6-dichloro-2,3-dihydroinden-1-one (CID 138590483) is 5-amino-4,6-dichloro-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-amino-4,6-dichloro-2,3-dihydroinden-1-one?
The canonical SMILES for 5-amino-4,6-dichloro-2,3-dihydroinden-1-one is Nc1c(Cl)cc2c(c1Cl)CCC2=O.
What is the InChIKey of 5-amino-4,6-dichloro-2,3-dihydroinden-1-one?
The InChIKey is ALSKSPAFGUVSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-6-3-5-4(1-2-7(5)13)8(11)9(6)12/h3H,1-2,12H2.
What are the key properties of 5-amino-4,6-dichloro-2,3-dihydroinden-1-one?
5-amino-4,6-dichloro-2,3-dihydroinden-1-one has a molecular weight of 216.07 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,6-dichloro-2,3-dihydroinden-1-one is sourced from PubChem (CID 138590483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).