methyl 6-formamidonaphthalene-1-carboxylate

C13H11NO3 — CID 168651733

IUPACmethyl 6-formamidonaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2cc(NC=O)ccc12
InChIInChI=1S/C13H11NO3/c1-17-13(16)12-4-2-3-9-7-10(14-8-15)5-6-11(9)12/h2-8H,1H3,(H,14,15)
InChIKeyLDYGWUMIALOLIR-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.19
Rot. Bonds3

About methyl 6-formamidonaphthalene-1-carboxylate

methyl 6-formamidonaphthalene-1-carboxylate (PubChem CID 168651733) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 6-formamidonaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-formamidonaphthalene-1-carboxylate
PubChem CID168651733
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Namemethyl 6-formamidonaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2cc(NC=O)ccc12
InChIInChI=1S/C13H11NO3/c1-17-13(16)12-4-2-3-9-7-10(14-8-15)5-6-11(9)12/h2-8H,1H3,(H,14,15)
InChIKeyLDYGWUMIALOLIR-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 6-(2,3-dihydroxypropylamino)naphthalene-1-carboxylate
CID 168594347
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
methyl 6-sulfanyloxynaphthalene-1-carboxylate
CID 143499050
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
CID 22895779
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate
CID 22895778
methyl 6-(1,3-dioxoisoindol-2-yl)naphthalene-1-carboxylate
CID 67632360
methyl 2H-isoindole-4-carboxylate
CID 71773027
methyl 7-(2-methylpropanoylamino)naphthalene-1-carboxylate
CID 163232905
methyl acridine-1-carboxylate
CID 54560619

Frequently Asked Questions

What is the IUPAC name of methyl 6-formamidonaphthalene-1-carboxylate?
The IUPAC name of methyl 6-formamidonaphthalene-1-carboxylate (CID 168651733) is methyl 6-formamidonaphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-formamidonaphthalene-1-carboxylate?
The canonical SMILES for methyl 6-formamidonaphthalene-1-carboxylate is COC(=O)c1cccc2cc(NC=O)ccc12.
What is the InChIKey of methyl 6-formamidonaphthalene-1-carboxylate?
The InChIKey is LDYGWUMIALOLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13(16)12-4-2-3-9-7-10(14-8-15)5-6-11(9)12/h2-8H,1H3,(H,14,15).
What are the key properties of methyl 6-formamidonaphthalene-1-carboxylate?
methyl 6-formamidonaphthalene-1-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-formamidonaphthalene-1-carboxylate is sourced from PubChem (CID 168651733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).