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

C11H14ClNO2 — CID 45074056

IUPACmethyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)Cc2ccccc2C1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11;/h2-5H,6-7,12H2,1H3;1H
InChIKeyCTMQYQHFQQHLBO-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.08
Rot. Bonds1

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

methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride (PubChem CID 45074056) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride
PubChem CID45074056
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)Cc2ccccc2C1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11;/h2-5H,6-7,12H2,1H3;1H
InChIKeyCTMQYQHFQQHLBO-UHFFFAOYSA-N
XLogP1.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride (CID 45074056) is methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride is COC(=O)C1(N)Cc2ccccc2C1.Cl.
What is the InChIKey of methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride?
The InChIKey is CTMQYQHFQQHLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11;/h2-5H,6-7,12H2,1H3;1H.
What are the key properties of methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride?
methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride is sourced from PubChem (CID 45074056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).