4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one

C10H10ClNO — CID 55263652

IUPAC4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one
SMILESNC1CC(=O)Cc2cccc(Cl)c21
InChIInChI=1S/C10H10ClNO/c11-8-3-1-2-6-4-7(13)5-9(12)10(6)8/h1-3,9H,4-5,12H2
InChIKeyQDQRNKRDUUFMFF-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.86
Rot. Bonds

About 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one

4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 55263652) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one
PubChem CID55263652
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one
SMILESNC1CC(=O)Cc2cccc(Cl)c21
InChIInChI=1S/C10H10ClNO/c11-8-3-1-2-6-4-7(13)5-9(12)10(6)8/h1-3,9H,4-5,12H2
InChIKeyQDQRNKRDUUFMFF-UHFFFAOYSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one (CID 55263652) is 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one is NC1CC(=O)Cc2cccc(Cl)c21.
What is the InChIKey of 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is QDQRNKRDUUFMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-8-3-1-2-6-4-7(13)5-9(12)10(6)8/h1-3,9H,4-5,12H2.
What are the key properties of 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one?
4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 195.65 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 55263652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).