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

C12H15NO — CID 57180230

IUPAC1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
SMILESCCC(=O)c1cccc2c1C(N)CC2
InChIInChI=1S/C12H15NO/c1-2-11(14)9-5-3-4-8-6-7-10(13)12(8)9/h3-5,10H,2,6-7,13H2,1H3
InChIKeyUASAOEHGFJVGFU-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.23
Rot. Bonds2

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

1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one (PubChem CID 57180230) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
PubChem CID57180230
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
SMILESCCC(=O)c1cccc2c1C(N)CC2
InChIInChI=1S/C12H15NO/c1-2-11(14)9-5-3-4-8-6-7-10(13)12(8)9/h3-5,10H,2,6-7,13H2,1H3
InChIKeyUASAOEHGFJVGFU-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one?
The IUPAC name of 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one (CID 57180230) is 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one is CCC(=O)c1cccc2c1C(N)CC2.
What is the InChIKey of 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one?
The InChIKey is UASAOEHGFJVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-11(14)9-5-3-4-8-6-7-10(13)12(8)9/h3-5,10H,2,6-7,13H2,1H3.
What are the key properties of 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one?
1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one is sourced from PubChem (CID 57180230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).