4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one

C10H10INO — CID 130040415

IUPAC4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one
SMILESNC1CCC(=O)c2ccc(I)cc21
InChIInChI=1S/C10H10INO/c11-6-1-2-7-8(5-6)9(12)3-4-10(7)13/h1-2,5,9H,3-4,12H2
InChIKeyRQIFIHDFWUKJPI-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.27
Rot. Bonds

About 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one

4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 130040415) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one
PubChem CID130040415
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one
SMILESNC1CCC(=O)c2ccc(I)cc21
InChIInChI=1S/C10H10INO/c11-6-1-2-7-8(5-6)9(12)3-4-10(7)13/h1-2,5,9H,3-4,12H2
InChIKeyRQIFIHDFWUKJPI-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one (CID 130040415) is 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one is NC1CCC(=O)c2ccc(I)cc21.
What is the InChIKey of 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RQIFIHDFWUKJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c11-6-1-2-7-8(5-6)9(12)3-4-10(7)13/h1-2,5,9H,3-4,12H2.
What are the key properties of 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one?
4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 287.10 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 130040415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).