1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one

C17H17NO — CID 66446406

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
SMILESCC(C(=O)c1ccc2c(c1)CCC2)c1ccccn1
InChIInChI=1S/C17H17NO/c1-12(16-7-2-3-10-18-16)17(19)15-9-8-13-5-4-6-14(13)11-15/h2-3,7-12H,4-6H2,1H3
InChIKeyBLHLBCSESPFNLH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one

1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one (PubChem CID 66446406) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
PubChem CID66446406
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
SMILESCC(C(=O)c1ccc2c(c1)CCC2)c1ccccn1
InChIInChI=1S/C17H17NO/c1-12(16-7-2-3-10-18-16)17(19)15-9-8-13-5-4-6-14(13)11-15/h2-3,7-12H,4-6H2,1H3
InChIKeyBLHLBCSESPFNLH-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774
2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
CID 116824679
1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
CID 114821425
1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one
CID 66446209
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 82101148
5-methyl-2-pyridin-2-ylheptan-3-one
CID 114875173
3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922913
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7866252

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one (CID 66446406) is 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one is CC(C(=O)c1ccc2c(c1)CCC2)c1ccccn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one?
The InChIKey is BLHLBCSESPFNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12(16-7-2-3-10-18-16)17(19)15-9-8-13-5-4-6-14(13)11-15/h2-3,7-12H,4-6H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 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-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 66446406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).