1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one

C12H15NO — CID 70096888

IUPAC1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
SMILESCCC(=O)C1(N)CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-2-11(14)12(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8,13H2,1H3
InChIKeyCHCFQMMQSRDRQY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.77
Rot. Bonds2

About 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one

1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one (PubChem CID 70096888) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
PubChem CID70096888
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
SMILESCCC(=O)C1(N)CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-2-11(14)12(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8,13H2,1H3
InChIKeyCHCFQMMQSRDRQY-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
1-[(4aR,10bR)-4a-methyl-1,2,3,4,5,6-hexahydrobenzo[f]isoquinolin-10b-yl]propan-1-one
CID 10377780
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
1-(1-hydroxy-2,2-dimethyl-3H-inden-1-yl)propan-1-one
CID 12992269
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
ethyl 2-(1-hydroxy-2,3-dihydroinden-1-yl)pentanoate
CID 83043699
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one?
The IUPAC name of 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one (CID 70096888) is 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one.
What is the SMILES notation for 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one?
The canonical SMILES for 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one is CCC(=O)C1(N)CCc2ccccc21.
What is the InChIKey of 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one?
The InChIKey is CHCFQMMQSRDRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-11(14)12(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8,13H2,1H3.
What are the key properties of 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one?
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one has a molecular weight of 189.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one is sourced from PubChem (CID 70096888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).