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

C10H12ClNO — CID 24901452

IUPAC3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride
SMILESCl.NC1Cc2ccccc2CC1=O
InChIInChI=1S/C10H11NO.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-4,9H,5-6,11H2;1H
InChIKeyNPDBUWUEHWAHRS-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.10
Rot. Bonds

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

3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride (PubChem CID 24901452) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride
PubChem CID24901452
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride
SMILESCl.NC1Cc2ccccc2CC1=O
InChIInChI=1S/C10H11NO.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-4,9H,5-6,11H2;1H
InChIKeyNPDBUWUEHWAHRS-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?
The IUPAC name of 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride (CID 24901452) is 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride.
What is the SMILES notation for 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?
The canonical SMILES for 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride is Cl.NC1Cc2ccccc2CC1=O.
What is the InChIKey of 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?
The InChIKey is NPDBUWUEHWAHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-4,9H,5-6,11H2;1H.
What are the key properties of 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?
3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dihydro-1H-naphthalen-2-one;hydrochloride is sourced from PubChem (CID 24901452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).