ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride

C13H18ClNO2 — CID 57443999

IUPACethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1(N)Cc2ccccc2C1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-2-16-12(15)9-13(14)7-10-5-3-4-6-11(10)8-13;/h3-6H,2,7-9,14H2,1H3;1H
InChIKeyVHWRFNWGYKZUKZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.86
Rot. Bonds3

About ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride

ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride (PubChem CID 57443999) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride
PubChem CID57443999
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Nameethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1(N)Cc2ccccc2C1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-2-16-12(15)9-13(14)7-10-5-3-4-6-11(10)8-13;/h3-6H,2,7-9,14H2,1H3;1H
InChIKeyVHWRFNWGYKZUKZ-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride (CID 57443999) is ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride is CCOC(=O)CC1(N)Cc2ccccc2C1.Cl.
What is the InChIKey of ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride?
The InChIKey is VHWRFNWGYKZUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-2-16-12(15)9-13(14)7-10-5-3-4-6-11(10)8-13;/h3-6H,2,7-9,14H2,1H3;1H.
What are the key properties of ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride?
ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate;hydrochloride is sourced from PubChem (CID 57443999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).