azanium 2-naphthalen-1-ylacetate

C12H13NO2 — CID 57376297

IUPACazanium 2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12.[NH4+]
InChIInChI=1S/C12H10O2.H3N/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);1H3
InChIKeyDFJCVWWLYPHXNW-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.51
Rot. Bonds2

About azanium 2-naphthalen-1-ylacetate

azanium 2-naphthalen-1-ylacetate (PubChem CID 57376297) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is azanium 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Nameazanium 2-naphthalen-1-ylacetate
PubChem CID57376297
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameazanium 2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12.[NH4+]
InChIInChI=1S/C12H10O2.H3N/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);1H3
InChIKeyDFJCVWWLYPHXNW-UHFFFAOYSA-N
XLogP1.51
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azanium 2-naphthalen-1-ylacetate?
The IUPAC name of azanium 2-naphthalen-1-ylacetate (CID 57376297) is azanium 2-naphthalen-1-ylacetate.
What is the SMILES notation for azanium 2-naphthalen-1-ylacetate?
The canonical SMILES for azanium 2-naphthalen-1-ylacetate is O=C([O-])Cc1cccc2ccccc12.[NH4+].
What is the InChIKey of azanium 2-naphthalen-1-ylacetate?
The InChIKey is DFJCVWWLYPHXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.H3N/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);1H3.
What are the key properties of azanium 2-naphthalen-1-ylacetate?
azanium 2-naphthalen-1-ylacetate has a molecular weight of 203.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-naphthalen-1-ylacetate is sourced from PubChem (CID 57376297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).