methyl 4-aminonaphthalene-1-carboxylate

C12H11NO2 — CID 10821944

IUPACmethyl 4-aminonaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,13H2,1H3
InChIKeyLBYWWJUIABXSBG-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.21
Rot. Bonds1

About methyl 4-aminonaphthalene-1-carboxylate

methyl 4-aminonaphthalene-1-carboxylate (PubChem CID 10821944) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 4-aminonaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminonaphthalene-1-carboxylate
PubChem CID10821944
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl 4-aminonaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,13H2,1H3
InChIKeyLBYWWJUIABXSBG-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-aminonaphthalene-1-carboxylate?
The IUPAC name of methyl 4-aminonaphthalene-1-carboxylate (CID 10821944) is methyl 4-aminonaphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-aminonaphthalene-1-carboxylate?
The canonical SMILES for methyl 4-aminonaphthalene-1-carboxylate is COC(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of methyl 4-aminonaphthalene-1-carboxylate?
The InChIKey is LBYWWJUIABXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,13H2,1H3.
What are the key properties of methyl 4-aminonaphthalene-1-carboxylate?
methyl 4-aminonaphthalene-1-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminonaphthalene-1-carboxylate is sourced from PubChem (CID 10821944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).