methyl 6-carbamoylnaphthalene-1-carboxylate

C13H11NO3 — CID 162353459

IUPACmethyl 6-carbamoylnaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2cc(C(N)=O)ccc12
InChIInChI=1S/C13H11NO3/c1-17-13(16)11-4-2-3-8-7-9(12(14)15)5-6-10(8)11/h2-7H,1H3,(H2,14,15)
InChIKeyAABGUJPBJFJVCL-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.73
Rot. Bonds2

About methyl 6-carbamoylnaphthalene-1-carboxylate

methyl 6-carbamoylnaphthalene-1-carboxylate (PubChem CID 162353459) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 6-carbamoylnaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-carbamoylnaphthalene-1-carboxylate
PubChem CID162353459
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Namemethyl 6-carbamoylnaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2cc(C(N)=O)ccc12
InChIInChI=1S/C13H11NO3/c1-17-13(16)11-4-2-3-8-7-9(12(14)15)5-6-10(8)11/h2-7H,1H3,(H2,14,15)
InChIKeyAABGUJPBJFJVCL-UHFFFAOYSA-N
XLogP1.73
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 6-sulfanyloxynaphthalene-1-carboxylate
CID 143499050
5-methylnaphthalene-2-carboxamide
CID 89351493
methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
CID 163232995
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
CID 22895779
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 6-formamidonaphthalene-1-carboxylate
CID 168651733
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
methyl 6-(1,3-dioxoisoindol-2-yl)naphthalene-1-carboxylate
CID 67632360
diphenyl naphthalene-1,6-dicarboxylate
CID 66591582
methyl 2H-isoindole-4-carboxylate
CID 71773027

Frequently Asked Questions

What is the IUPAC name of methyl 6-carbamoylnaphthalene-1-carboxylate?
The IUPAC name of methyl 6-carbamoylnaphthalene-1-carboxylate (CID 162353459) is methyl 6-carbamoylnaphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-carbamoylnaphthalene-1-carboxylate?
The canonical SMILES for methyl 6-carbamoylnaphthalene-1-carboxylate is COC(=O)c1cccc2cc(C(N)=O)ccc12.
What is the InChIKey of methyl 6-carbamoylnaphthalene-1-carboxylate?
The InChIKey is AABGUJPBJFJVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13(16)11-4-2-3-8-7-9(12(14)15)5-6-10(8)11/h2-7H,1H3,(H2,14,15).
What are the key properties of methyl 6-carbamoylnaphthalene-1-carboxylate?
methyl 6-carbamoylnaphthalene-1-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-carbamoylnaphthalene-1-carboxylate is sourced from PubChem (CID 162353459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).