1-carbamoylnaphthalene-2-carboxylic acid

C12H9NO3 — CID 56621617

IUPAC1-carbamoylnaphthalene-2-carboxylic acid
SMILESNC(=O)c1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C12H9NO3/c13-11(14)10-8-4-2-1-3-7(8)5-6-9(10)12(15)16/h1-6H,(H2,13,14)(H,15,16)
InChIKeyJWDLINZGAZBWKK-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.64
Rot. Bonds2

About 1-carbamoylnaphthalene-2-carboxylic acid

1-carbamoylnaphthalene-2-carboxylic acid (PubChem CID 56621617) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-carbamoylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-carbamoylnaphthalene-2-carboxylic acid
PubChem CID56621617
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name1-carbamoylnaphthalene-2-carboxylic acid
SMILESNC(=O)c1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C12H9NO3/c13-11(14)10-8-4-2-1-3-7(8)5-6-9(10)12(15)16/h1-6H,(H2,13,14)(H,15,16)
InChIKeyJWDLINZGAZBWKK-UHFFFAOYSA-N
XLogP1.64
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-carbamoylnaphthalene-2-carboxylic acid (CID 56621617) is 1-carbamoylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-carbamoylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-carbamoylnaphthalene-2-carboxylic acid is NC(=O)c1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-carbamoylnaphthalene-2-carboxylic acid?
The InChIKey is JWDLINZGAZBWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c13-11(14)10-8-4-2-1-3-7(8)5-6-9(10)12(15)16/h1-6H,(H2,13,14)(H,15,16).
What are the key properties of 1-carbamoylnaphthalene-2-carboxylic acid?
1-carbamoylnaphthalene-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 56621617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).