ethyl 2-amino-1,3-dihydroindene-2-carboxylate

C12H15NO2 — CID 10921653

IUPACethyl 2-amino-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2ccccc2C1
InChIInChI=1S/C12H15NO2/c1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8,13H2,1H3
InChIKeyQDBFVFBOZSMMSV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.05
Rot. Bonds2

About ethyl 2-amino-1,3-dihydroindene-2-carboxylate

ethyl 2-amino-1,3-dihydroindene-2-carboxylate (PubChem CID 10921653) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-amino-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1,3-dihydroindene-2-carboxylate
PubChem CID10921653
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-amino-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2ccccc2C1
InChIInChI=1S/C12H15NO2/c1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8,13H2,1H3
InChIKeyQDBFVFBOZSMMSV-UHFFFAOYSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-amino-1,3-dihydroindene-2-carboxylate (CID 10921653) is ethyl 2-amino-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-amino-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(N)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-amino-1,3-dihydroindene-2-carboxylate?
The InChIKey is QDBFVFBOZSMMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12/h3-6H,2,7-8,13H2,1H3.
What are the key properties of ethyl 2-amino-1,3-dihydroindene-2-carboxylate?
ethyl 2-amino-1,3-dihydroindene-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 10921653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).