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

C11H13NO2 — CID 45074057

IUPACmethyl 2-amino-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(N)Cc2ccccc2C1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7,12H2,1H3
InChIKeyUVMXRCKHFMQNJZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.66
Rot. Bonds1

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

methyl 2-amino-1,3-dihydroindene-2-carboxylate (PubChem CID 45074057) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-amino-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1,3-dihydroindene-2-carboxylate
PubChem CID45074057
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-amino-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(N)Cc2ccccc2C1
InChIInChI=1S/C11H13NO2/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7,12H2,1H3
InChIKeyUVMXRCKHFMQNJZ-UHFFFAOYSA-N
XLogP0.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-amino-1,3-dihydroindene-2-carboxylate (CID 45074057) is methyl 2-amino-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-amino-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-amino-1,3-dihydroindene-2-carboxylate is COC(=O)C1(N)Cc2ccccc2C1.
What is the InChIKey of methyl 2-amino-1,3-dihydroindene-2-carboxylate?
The InChIKey is UVMXRCKHFMQNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7,12H2,1H3.
What are the key properties of methyl 2-amino-1,3-dihydroindene-2-carboxylate?
methyl 2-amino-1,3-dihydroindene-2-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 0.66, 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 is sourced from PubChem (CID 45074057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).