methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride

C11H14ClNO2 — CID 71463971

IUPACmethyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CCc2cc(N)ccc21.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)10;/h3,5-6,10H,2,4,12H2,1H3;1H
InChIKeyRIYWFLPNHSFGEY-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.89
Rot. Bonds1

About methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride

methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride (PubChem CID 71463971) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride
PubChem CID71463971
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CCc2cc(N)ccc21.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)10;/h3,5-6,10H,2,4,12H2,1H3;1H
InChIKeyRIYWFLPNHSFGEY-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride?
The IUPAC name of methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride (CID 71463971) is methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride is COC(=O)C1CCc2cc(N)ccc21.Cl.
What is the InChIKey of methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride?
The InChIKey is RIYWFLPNHSFGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)10;/h3,5-6,10H,2,4,12H2,1H3;1H.
What are the key properties of methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride?
methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2,3-dihydro-1H-indene-1-carboxylate;hydrochloride is sourced from PubChem (CID 71463971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).