methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate

C19H17NO3 — CID 89076920

IUPACmethyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccccc1CN=O)=CCC2
InChIInChI=1S/C19H17NO3/c1-23-19(21)14-10-9-13-6-4-8-17(18(13)11-14)16-7-3-2-5-15(16)12-20-22/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyONGAXRZZENZKJL-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.12
Rot. Bonds4

About methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate

methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 89076920) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
PubChem CID89076920
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccccc1CN=O)=CCC2
InChIInChI=1S/C19H17NO3/c1-23-19(21)14-10-9-13-6-4-8-17(18(13)11-14)16-7-3-2-5-15(16)12-20-22/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyONGAXRZZENZKJL-UHFFFAOYSA-N
XLogP4.12
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407405
methyl 8-(4,6-dimethylcyclohepta-1,3,5-trien-1-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 143762358
methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407462
methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407203
methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
CID 58406598
methyl 8-(4-nitrophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407020
N-(diaminomethylidene)-8-[2-(isocyanomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxamide
CID 58406438
8-(2-hydroxyphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406938
methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 58406691
N-[N'-(2-methoxyethyl)carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 25190380
N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406775
N-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]-8-(2-methoxyphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406530

Frequently Asked Questions

What is the IUPAC name of methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate (CID 89076920) is methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1ccccc1CN=O)=CCC2.
What is the InChIKey of methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is ONGAXRZZENZKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-23-19(21)14-10-9-13-6-4-8-17(18(13)11-14)16-7-3-2-5-15(16)12-20-22/h2-3,5,7-11H,4,6,12H2,1H3.
What are the key properties of methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 89076920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).