methyl 3-cyano-2-methoxynaphthalene-1-carboxylate

C14H11NO3 — CID 11746770

IUPACmethyl 3-cyano-2-methoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1c(OC)c(C#N)cc2ccccc12
InChIInChI=1S/C14H11NO3/c1-17-13-10(8-15)7-9-5-3-4-6-11(9)12(13)14(16)18-2/h3-7H,1-2H3
InChIKeyFLGRJTLHLVSFHJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.51
Rot. Bonds2

About methyl 3-cyano-2-methoxynaphthalene-1-carboxylate

methyl 3-cyano-2-methoxynaphthalene-1-carboxylate (PubChem CID 11746770) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 3-cyano-2-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyano-2-methoxynaphthalene-1-carboxylate
PubChem CID11746770
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Namemethyl 3-cyano-2-methoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1c(OC)c(C#N)cc2ccccc12
InChIInChI=1S/C14H11NO3/c1-17-13-10(8-15)7-9-5-3-4-6-11(9)12(13)14(16)18-2/h3-7H,1-2H3
InChIKeyFLGRJTLHLVSFHJ-UHFFFAOYSA-N
XLogP2.51
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cyano-2-ethenylnaphthalene-1-carboxylate;methyl 3-cyano-2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate
CID 157098552
3-cyano-N-methyl-2-(2,2,2-trifluoroethoxy)naphthalene-1-carboxamide
CID 54359389
4-[(3-cyano-2-methoxynaphthalene-1-carbonyl)amino]-3-(3,4-dichlorophenyl)butanoic acid
CID 22397022
(3S)-4-[(3-cyano-2-methoxynaphthalene-1-carbonyl)amino]-3-(3,4-dichlorophenyl)butanoic acid
CID 20794246
methyl 6-cyano-2-methoxy-3-sulfanylbenzoate
CID 134647877
12,13-dimethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene-9,16-dicarbonitrile
CID 102125962
1,2-dichlorobenzene;ethane;methyl 2-[(3-cyano-2-methoxynaphthalene-1-carbonyl)-(4-oxobutyl)amino]acetate
CID 142150767
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 3-cyano-4-fluoronaphthalene-1-carboxylate
CID 11806440
3-cyano-N-[2-(3,4-dichlorophenyl)-4,4-dimethoxybutyl]-2-methoxy-N-methylnaphthalene-1-carboxamide
CID 23018715
methyl 2-[(3-cyano-2-methoxynaphthalene-1-carbonyl)-[(2S)-2-(3,4-dichlorophenyl)-4-hydroxybutyl]amino]acetate
CID 58649594

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyano-2-methoxynaphthalene-1-carboxylate?
The IUPAC name of methyl 3-cyano-2-methoxynaphthalene-1-carboxylate (CID 11746770) is methyl 3-cyano-2-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 3-cyano-2-methoxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 3-cyano-2-methoxynaphthalene-1-carboxylate is COC(=O)c1c(OC)c(C#N)cc2ccccc12.
What is the InChIKey of methyl 3-cyano-2-methoxynaphthalene-1-carboxylate?
The InChIKey is FLGRJTLHLVSFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-17-13-10(8-15)7-9-5-3-4-6-11(9)12(13)14(16)18-2/h3-7H,1-2H3.
What are the key properties of methyl 3-cyano-2-methoxynaphthalene-1-carboxylate?
methyl 3-cyano-2-methoxynaphthalene-1-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyano-2-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 11746770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).