1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one

C15H21NO — CID 82101131

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO/c1-3-9-16-11(2)15(17)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyAGYQVOBJRNFAFI-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.75
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one

1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one (PubChem CID 82101131) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
PubChem CID82101131
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO/c1-3-9-16-11(2)15(17)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyAGYQVOBJRNFAFI-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
CID 125181304
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one
CID 82100707
2-[[1-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]amino]butanoic acid
CID 82100355
2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 82101148
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
2-(2,3-dihydro-1H-indene-5-carbonyl)butanenitrile
CID 43670549
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxyethylamino)-4-oxobutanoate
CID 82348858

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one (CID 82101131) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one is CCCNC(C)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one?
The InChIKey is AGYQVOBJRNFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-9-16-11(2)15(17)14-8-7-12-5-4-6-13(12)10-14/h7-8,10-11,16H,3-6,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one is sourced from PubChem (CID 82101131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).