methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate

C11H13NO3 — CID 84674999

IUPACmethyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(c(N)c1O)CCC2
InChIInChI=1S/C11H13NO3/c1-15-11(14)8-5-6-3-2-4-7(6)9(12)10(8)13/h5,13H,2-4,12H2,1H3
InChIKeyGSWISODUANFKHV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.25
Rot. Bonds1

About methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate

methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 84674999) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID84674999
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(c(N)c1O)CCC2
InChIInChI=1S/C11H13NO3/c1-15-11(14)8-5-6-3-2-4-7(6)9(12)10(8)13/h5,13H,2-4,12H2,1H3
InChIKeyGSWISODUANFKHV-UHFFFAOYSA-N
XLogP1.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate (CID 84674999) is methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1cc2c(c(N)c1O)CCC2.
What is the InChIKey of methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is GSWISODUANFKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11(14)8-5-6-3-2-4-7(6)9(12)10(8)13/h5,13H,2-4,12H2,1H3.
What are the key properties of methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate?
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 84674999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).