methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate

C12H15NO2 — CID 105457459

IUPACmethyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
SMILESCOC(=O)CC1Cc2cccc(N)c2C1
InChIInChI=1S/C12H15NO2/c1-15-12(14)7-8-5-9-3-2-4-11(13)10(9)6-8/h2-4,8H,5-7,13H2,1H3
InChIKeySPIVRGUOCIYTEF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.55
Rot. Bonds2

About methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate

methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate (PubChem CID 105457459) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
PubChem CID105457459
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
SMILESCOC(=O)CC1Cc2cccc(N)c2C1
InChIInChI=1S/C12H15NO2/c1-15-12(14)7-8-5-9-3-2-4-11(13)10(9)6-8/h2-4,8H,5-7,13H2,1H3
InChIKeySPIVRGUOCIYTEF-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate?
The IUPAC name of methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate (CID 105457459) is methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate?
The canonical SMILES for methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate is COC(=O)CC1Cc2cccc(N)c2C1.
What is the InChIKey of methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate?
The InChIKey is SPIVRGUOCIYTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)7-8-5-9-3-2-4-11(13)10(9)6-8/h2-4,8H,5-7,13H2,1H3.
What are the key properties of methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate?
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate is sourced from PubChem (CID 105457459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).