4-(dimethylamino)naphthalene-1-carboxylic acid

C13H13NO2 — CID 522695

IUPAC4-(dimethylamino)naphthalene-1-carboxylic acid
SMILESCN(C)c1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)
InChIKeyLZQKNRRVTOJUHQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.60
Rot. Bonds2

About 4-(dimethylamino)naphthalene-1-carboxylic acid

4-(dimethylamino)naphthalene-1-carboxylic acid (PubChem CID 522695) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(dimethylamino)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)naphthalene-1-carboxylic acid
PubChem CID522695
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-(dimethylamino)naphthalene-1-carboxylic acid
SMILESCN(C)c1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)
InChIKeyLZQKNRRVTOJUHQ-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)naphthalene-1-carboxylic acid?
The IUPAC name of 4-(dimethylamino)naphthalene-1-carboxylic acid (CID 522695) is 4-(dimethylamino)naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)naphthalene-1-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)naphthalene-1-carboxylic acid is CN(C)c1ccc(C(=O)O)c2ccccc12.
What is the InChIKey of 4-(dimethylamino)naphthalene-1-carboxylic acid?
The InChIKey is LZQKNRRVTOJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16).
What are the key properties of 4-(dimethylamino)naphthalene-1-carboxylic acid?
4-(dimethylamino)naphthalene-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)naphthalene-1-carboxylic acid is sourced from PubChem (CID 522695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).