1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one

C12H15NO2 — CID 166125808

IUPAC1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one
SMILESCC(=O)COc1cccc2c1CC(N)C2
InChIInChI=1S/C12H15NO2/c1-8(14)7-15-12-4-2-3-9-5-10(13)6-11(9)12/h2-4,10H,5-7,13H2,1H3
InChIKeyKYZHYGYJFLLGSQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds3

About 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one

1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one (PubChem CID 166125808) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one
PubChem CID166125808
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one
SMILESCC(=O)COc1cccc2c1CC(N)C2
InChIInChI=1S/C12H15NO2/c1-8(14)7-15-12-4-2-3-9-5-10(13)6-11(9)12/h2-4,10H,5-7,13H2,1H3
InChIKeyKYZHYGYJFLLGSQ-UHFFFAOYSA-N
XLogP1.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-(2-ethylcyclopropyl)butan-1-one
CID 166125499
ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
CID 166125661
2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
[(6S,7S)-6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
CID 95480102
[2-(2-oxopropoxy)phenyl] benzoate
CID 2142046
2-[[(7S)-7-undecyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 144530116
methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166126168
2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
CID 84664529
2-[[6-(3-hydroxypropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19004218
methyl 2-[(2-acetyl-1,3-dihydroisoindol-4-yl)oxy]acetate
CID 20754795
methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate
CID 171725932

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one?
The IUPAC name of 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one (CID 166125808) is 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one.
What is the SMILES notation for 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one?
The canonical SMILES for 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one is CC(=O)COc1cccc2c1CC(N)C2.
What is the InChIKey of 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one?
The InChIKey is KYZHYGYJFLLGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(14)7-15-12-4-2-3-9-5-10(13)6-11(9)12/h2-4,10H,5-7,13H2,1H3.
What are the key properties of 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one?
1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2,3-dihydro-1H-inden-4-yl)oxy]propan-2-one is sourced from PubChem (CID 166125808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).