(4-aminonaphthalen-1-yl) acetate

C12H11NO2 — CID 97355955

IUPAC(4-aminonaphthalen-1-yl) acetate
SMILESCC(=O)Oc1ccc(N)c2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(14)15-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,13H2,1H3
InChIKeyRQKMOUJASOVRPY-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.35
Rot. Bonds1

About (4-aminonaphthalen-1-yl) acetate

(4-aminonaphthalen-1-yl) acetate (PubChem CID 97355955) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (4-aminonaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(4-aminonaphthalen-1-yl) acetate
PubChem CID97355955
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(4-aminonaphthalen-1-yl) acetate
SMILESCC(=O)Oc1ccc(N)c2ccccc12
InChIInChI=1S/C12H11NO2/c1-8(14)15-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,13H2,1H3
InChIKeyRQKMOUJASOVRPY-UHFFFAOYSA-N
XLogP2.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminonaphthalen-1-yl) acetate?
The IUPAC name of (4-aminonaphthalen-1-yl) acetate (CID 97355955) is (4-aminonaphthalen-1-yl) acetate.
What is the SMILES notation for (4-aminonaphthalen-1-yl) acetate?
The canonical SMILES for (4-aminonaphthalen-1-yl) acetate is CC(=O)Oc1ccc(N)c2ccccc12.
What is the InChIKey of (4-aminonaphthalen-1-yl) acetate?
The InChIKey is RQKMOUJASOVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(14)15-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,13H2,1H3.
What are the key properties of (4-aminonaphthalen-1-yl) acetate?
(4-aminonaphthalen-1-yl) acetate has a molecular weight of 201.22 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminonaphthalen-1-yl) acetate is sourced from PubChem (CID 97355955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).