(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one

C16H23NO — CID 125181304

IUPAC(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
SMILESCCC[C@H](NCC)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO/c1-3-6-15(17-4-2)16(18)14-10-9-12-7-5-8-13(12)11-14/h9-11,15,17H,3-8H2,1-2H3/t15-/m0/s1
InChIKeyJKHIJQTXTPXKTI-HNNXBMFYSA-N
MW245.37 g/mol
LogP3.14
Rot. Bonds6

About (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one

(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one (PubChem CID 125181304) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
PubChem CID125181304
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
SMILESCCC[C@H](NCC)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO/c1-3-6-15(17-4-2)16(18)14-10-9-12-7-5-8-13(12)11-14/h9-11,15,17H,3-8H2,1-2H3/t15-/m0/s1
InChIKeyJKHIJQTXTPXKTI-HNNXBMFYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
methyl 3-(ethylamino)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 82347855
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
2-(2,3-dihydro-1H-indene-5-carbonyl)butanenitrile
CID 43670549
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxyethylamino)-4-oxobutanoate
CID 82348858
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
2-[[1-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]amino]butanoic acid
CID 82100355
methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 82347867

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one (CID 125181304) is (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one is CCC[C@H](NCC)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one?
The InChIKey is JKHIJQTXTPXKTI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-6-15(17-4-2)16(18)14-10-9-12-7-5-8-13(12)11-14/h9-11,15,17H,3-8H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one?
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one is sourced from PubChem (CID 125181304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).