ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride

C12H15Cl2NO2 — CID 71741769

IUPACethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)Cc2ccc(Cl)cc2C1.Cl
InChIInChI=1S/C12H14ClNO2.ClH/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12;/h3-5H,2,6-7,14H2,1H3;1H
InChIKeyYBJRHRWEEUSVBD-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.12
Rot. Bonds2

About ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride

ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride (PubChem CID 71741769) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride
PubChem CID71741769
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Nameethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)Cc2ccc(Cl)cc2C1.Cl
InChIInChI=1S/C12H14ClNO2.ClH/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12;/h3-5H,2,6-7,14H2,1H3;1H
InChIKeyYBJRHRWEEUSVBD-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride (CID 71741769) is ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride is CCOC(=O)C1(N)Cc2ccc(Cl)cc2C1.Cl.
What is the InChIKey of ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride?
The InChIKey is YBJRHRWEEUSVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.ClH/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12;/h3-5H,2,6-7,14H2,1H3;1H.
What are the key properties of ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride?
ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride has a molecular weight of 276.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;hydrochloride is sourced from PubChem (CID 71741769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).