methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride

C13H18ClNO2 — CID 146096252

IUPACmethyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CC(C)(C)C2N.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-13(2)7-9-6-8(12(15)16-3)4-5-10(9)11(13)14;/h4-6,11H,7,14H2,1-3H3;1H
InChIKeyPSXOSCQIVKKRRI-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.48
Rot. Bonds1

About methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride

methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride (PubChem CID 146096252) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride
PubChem CID146096252
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Namemethyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)CC(C)(C)C2N.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-13(2)7-9-6-8(12(15)16-3)4-5-10(9)11(13)14;/h4-6,11H,7,14H2,1-3H3;1H
InChIKeyPSXOSCQIVKKRRI-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride?
The IUPAC name of methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride (CID 146096252) is methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)CC(C)(C)C2N.Cl.
What is the InChIKey of methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride?
The InChIKey is PSXOSCQIVKKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-13(2)7-9-6-8(12(15)16-3)4-5-10(9)11(13)14;/h4-6,11H,7,14H2,1-3H3;1H.
What are the key properties of methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride?
methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate;hydrochloride is sourced from PubChem (CID 146096252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).