(4-carbamoyloxynaphthalen-1-yl)boronic acid

C11H10BNO4 — CID 57464319

IUPAC(4-carbamoyloxynaphthalen-1-yl)boronic acid
SMILESNC(=O)Oc1ccc(B(O)O)c2ccccc12
InChIInChI=1S/C11H10BNO4/c13-11(14)17-10-6-5-9(12(15)16)7-3-1-2-4-8(7)10/h1-6,15-16H,(H2,13,14)
InChIKeyMSZYJPKJTYYBQJ-UHFFFAOYSA-N
MW231.02 g/mol
LogP-0.02
Rot. Bonds2

About (4-carbamoyloxynaphthalen-1-yl)boronic acid

(4-carbamoyloxynaphthalen-1-yl)boronic acid (PubChem CID 57464319) has the molecular formula C11H10BNO4 and a molecular weight of 231.02 g/mol. Its IUPAC name is (4-carbamoyloxynaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(4-carbamoyloxynaphthalen-1-yl)boronic acid
PubChem CID57464319
Molecular FormulaC11H10BNO4
Molecular Weight231.02 g/mol
Exact Mass231.07
IUPAC Name(4-carbamoyloxynaphthalen-1-yl)boronic acid
SMILESNC(=O)Oc1ccc(B(O)O)c2ccccc12
InChIInChI=1S/C11H10BNO4/c13-11(14)17-10-6-5-9(12(15)16)7-3-1-2-4-8(7)10/h1-6,15-16H,(H2,13,14)
InChIKeyMSZYJPKJTYYBQJ-UHFFFAOYSA-N
XLogP-0.02
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.02
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-carbamoyloxynaphthalen-1-yl)boronic acid?
The IUPAC name of (4-carbamoyloxynaphthalen-1-yl)boronic acid (CID 57464319) is (4-carbamoyloxynaphthalen-1-yl)boronic acid.
What is the SMILES notation for (4-carbamoyloxynaphthalen-1-yl)boronic acid?
The canonical SMILES for (4-carbamoyloxynaphthalen-1-yl)boronic acid is NC(=O)Oc1ccc(B(O)O)c2ccccc12.
What is the InChIKey of (4-carbamoyloxynaphthalen-1-yl)boronic acid?
The InChIKey is MSZYJPKJTYYBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO4/c13-11(14)17-10-6-5-9(12(15)16)7-3-1-2-4-8(7)10/h1-6,15-16H,(H2,13,14).
What are the key properties of (4-carbamoyloxynaphthalen-1-yl)boronic acid?
(4-carbamoyloxynaphthalen-1-yl)boronic acid has a molecular weight of 231.02 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoyloxynaphthalen-1-yl)boronic acid is sourced from PubChem (CID 57464319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).