methyl 3-aminonaphthalene-1-carboxylate

C12H11NO2 — CID 23423661

IUPACmethyl 3-aminonaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(N)cc2ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,13H2,1H3
InChIKeySXKPYDRBFCWMNT-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.21
Rot. Bonds1

About methyl 3-aminonaphthalene-1-carboxylate

methyl 3-aminonaphthalene-1-carboxylate (PubChem CID 23423661) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 3-aminonaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminonaphthalene-1-carboxylate
PubChem CID23423661
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl 3-aminonaphthalene-1-carboxylate
SMILESCOC(=O)c1cc(N)cc2ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,13H2,1H3
InChIKeySXKPYDRBFCWMNT-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 3-aminonaphthalene-1-carboxylate?
The IUPAC name of methyl 3-aminonaphthalene-1-carboxylate (CID 23423661) is methyl 3-aminonaphthalene-1-carboxylate.
What is the SMILES notation for methyl 3-aminonaphthalene-1-carboxylate?
The canonical SMILES for methyl 3-aminonaphthalene-1-carboxylate is COC(=O)c1cc(N)cc2ccccc12.
What is the InChIKey of methyl 3-aminonaphthalene-1-carboxylate?
The InChIKey is SXKPYDRBFCWMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,13H2,1H3.
What are the key properties of methyl 3-aminonaphthalene-1-carboxylate?
methyl 3-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 3-aminonaphthalene-1-carboxylate is sourced from PubChem (CID 23423661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).