(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride

C11H14ClNO2 — CID 172641351

IUPAC(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
SMILESCOc1ccc2c(c1)C(=O)C([NH3+])CC2.[Cl-]
InChIInChI=1S/C11H13NO2.ClH/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8;/h2,4,6,10H,3,5,12H2,1H3;1H
InChIKeyABXKUEIHKUBYLJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP-2.56
Rot. Bonds1

About (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride

(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride (PubChem CID 172641351) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride.

Molecular Properties

Compound Name(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
PubChem CID172641351
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
SMILESCOc1ccc2c(c1)C(=O)C([NH3+])CC2.[Cl-]
InChIInChI=1S/C11H13NO2.ClH/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8;/h2,4,6,10H,3,5,12H2,1H3;1H
InChIKeyABXKUEIHKUBYLJ-UHFFFAOYSA-N
XLogP-2.56
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 5-2.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
methyl 3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
CID 22989937
3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 2864705
8-methoxy-3-methyl-4,5-dihydro-3aH-benzo[e]indol-2-one
CID 10799427
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
CID 67555902
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
(3S)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721893

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride?
The IUPAC name of (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride (CID 172641351) is (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride.
What is the SMILES notation for (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride?
The canonical SMILES for (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride is COc1ccc2c(c1)C(=O)C([NH3+])CC2.[Cl-].
What is the InChIKey of (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride?
The InChIKey is ABXKUEIHKUBYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8;/h2,4,6,10H,3,5,12H2,1H3;1H.
What are the key properties of (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride?
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride has a molecular weight of 227.69 g/mol, XLogP of -2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride is sourced from PubChem (CID 172641351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).