methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate

C12H15NO2 — CID 59505320

IUPACmethyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCNC1CCc2ccc(C(=O)OC)cc21
InChIInChI=1S/C12H15NO2/c1-13-11-6-5-8-3-4-9(7-10(8)11)12(14)15-2/h3-4,7,11,13H,5-6H2,1-2H3
InChIKeyNBGPIWZPEVSEAJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds2

About methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate

methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505320) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505320
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCNC1CCc2ccc(C(=O)OC)cc21
InChIInChI=1S/C12H15NO2/c1-13-11-6-5-8-3-4-9(7-10(8)11)12(14)15-2/h3-4,7,11,13H,5-6H2,1-2H3
InChIKeyNBGPIWZPEVSEAJ-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 59505320) is methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate is CNC1CCc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is NBGPIWZPEVSEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-11-6-5-8-3-4-9(7-10(8)11)12(14)15-2/h3-4,7,11,13H,5-6H2,1-2H3.
What are the key properties of methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate?
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).