(1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate

C12H15NO2 — CID 66663792

IUPAC(1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate
SMILESCC(=O)OC1(N)CCc2ccc(C)cc21
InChIInChI=1S/C12H15NO2/c1-8-3-4-10-5-6-12(13,11(10)7-8)15-9(2)14/h3-4,7H,5-6,13H2,1-2H3
InChIKeyWQNXTSIEXJKRMD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds1

About (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate

(1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate (PubChem CID 66663792) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate.

Molecular Properties

Compound Name(1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate
PubChem CID66663792
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate
SMILESCC(=O)OC1(N)CCc2ccc(C)cc21
InChIInChI=1S/C12H15NO2/c1-8-3-4-10-5-6-12(13,11(10)7-8)15-9(2)14/h3-4,7H,5-6,13H2,1-2H3
InChIKeyWQNXTSIEXJKRMD-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate?
The IUPAC name of (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate (CID 66663792) is (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate.
What is the SMILES notation for (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate?
The canonical SMILES for (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate is CC(=O)OC1(N)CCc2ccc(C)cc21.
What is the InChIKey of (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate?
The InChIKey is WQNXTSIEXJKRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-3-4-10-5-6-12(13,11(10)7-8)15-9(2)14/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate?
(1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate has a molecular weight of 205.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-6-methyl-2,3-dihydroinden-1-yl) acetate is sourced from PubChem (CID 66663792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).