(4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

C10H12ClNO — CID 70618924

IUPAC(4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.N[C@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C10H11NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-4,9H,5-6,11H2;1H/t9-;/m0./s1
InChIKeyIIOKUAPPHSSBEQ-FVGYRXGTSA-N
MW197.67 g/mol
LogP2.08
Rot. Bonds

About (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

(4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 70618924) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID70618924
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.N[C@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C10H11NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-4,9H,5-6,11H2;1H/t9-;/m0./s1
InChIKeyIIOKUAPPHSSBEQ-FVGYRXGTSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 70618924) is (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is Cl.N[C@H]1CCC(=O)c2ccccc21.
What is the InChIKey of (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is IIOKUAPPHSSBEQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-4,9H,5-6,11H2;1H/t9-;/m0./s1.
What are the key properties of (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
(4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 70618924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).