methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate

C20H19NO2 — CID 132517345

IUPACmethyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1C)C1(C=Nc3ccccc31)CCC2
InChIInChI=1S/C20H19NO2/c1-13-15(19(22)23-2)10-9-14-6-5-11-20(18(13)14)12-21-17-8-4-3-7-16(17)20/h3-4,7-10,12H,5-6,11H2,1-2H3
InChIKeyKKRVLXMAGCPZSE-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.12
Rot. Bonds1

About methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate

methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate (PubChem CID 132517345) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate
PubChem CID132517345
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1C)C1(C=Nc3ccccc31)CCC2
InChIInChI=1S/C20H19NO2/c1-13-15(19(22)23-2)10-9-14-6-5-11-20(18(13)14)12-21-17-8-4-3-7-16(17)20/h3-4,7-10,12H,5-6,11H2,1-2H3
InChIKeyKKRVLXMAGCPZSE-UHFFFAOYSA-N
XLogP4.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463415
2,2,2-trifluoro-1-(2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 14048773
methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
CID 11085000
methyl 3-methoxy-2-methylbenzoate
CID 12527049
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate
CID 102545818
methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
CID 154577525
spiro[5,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-3,3'-indole]
CID 68599697
methyl 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzoate
CID 133186921
methyl 2-(1-phenylcyclopentanecarbonyl)oxy-3-propanoylbenzoate
CID 19972787
methyl 1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 54895148

Frequently Asked Questions

What is the IUPAC name of methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate?
The IUPAC name of methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate (CID 132517345) is methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate.
What is the SMILES notation for methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate?
The canonical SMILES for methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate is COC(=O)c1ccc2c(c1C)C1(C=Nc3ccccc31)CCC2.
What is the InChIKey of methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate?
The InChIKey is KKRVLXMAGCPZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-15(19(22)23-2)10-9-14-6-5-11-20(18(13)14)12-21-17-8-4-3-7-16(17)20/h3-4,7-10,12H,5-6,11H2,1-2H3.
What are the key properties of methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate?
methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylspiro[6,7-dihydro-5H-naphthalene-8,3'-indole]-2-carboxylate is sourced from PubChem (CID 132517345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).