7-(diethylamino)-2,3-dihydroinden-1-one

C13H17NO — CID 112709045

IUPAC7-(diethylamino)-2,3-dihydroinden-1-one
SMILESCCN(CC)c1cccc2c1C(=O)CC2
InChIInChI=1S/C13H17NO/c1-3-14(4-2)11-7-5-6-10-8-9-12(15)13(10)11/h5-7H,3-4,8-9H2,1-2H3
InChIKeyOHCYBSUTLAGEPO-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.66
Rot. Bonds3

About 7-(diethylamino)-2,3-dihydroinden-1-one

7-(diethylamino)-2,3-dihydroinden-1-one (PubChem CID 112709045) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 7-(diethylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-(diethylamino)-2,3-dihydroinden-1-one
PubChem CID112709045
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name7-(diethylamino)-2,3-dihydroinden-1-one
SMILESCCN(CC)c1cccc2c1C(=O)CC2
InChIInChI=1S/C13H17NO/c1-3-14(4-2)11-7-5-6-10-8-9-12(15)13(10)11/h5-7H,3-4,8-9H2,1-2H3
InChIKeyOHCYBSUTLAGEPO-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-quinolone
CID 6748
2-(4-(Dimethylamino)benzylidene)-1-indanone
CID 5388521
2,5-Dimethyl-1,4-dihydroquinolin-4-one
CID 233216
1-Methyl-2-nonyl-4(1H)-quinolone
CID 13967189
1-Methyl-2-[(Z)-7-tridecenyl]-4(1H)-quinolone
CID 5319779
1-[2-Amino-5-(1-pyrrolidinyl)phenyl]-1-ethanone
CID 10750731
1-methyl-2-[(Z)-4-tridecenyl]-4(1H)-quinolone
CID 53325916
Schinifoline
CID 133504
1,2-Dimethylquinolin-4(1H)-one
CID 316973
Evocarpine
CID 5317303
1-methyl-2-undecyl-4(1H)-quinolone
CID 5319811
Dihydroevocarpine
CID 5322031

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 7-(diethylamino)-2,3-dihydroinden-1-one (CID 112709045) is 7-(diethylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-(diethylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 7-(diethylamino)-2,3-dihydroinden-1-one is CCN(CC)c1cccc2c1C(=O)CC2.
What is the InChIKey of 7-(diethylamino)-2,3-dihydroinden-1-one?
The InChIKey is OHCYBSUTLAGEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14(4-2)11-7-5-6-10-8-9-12(15)13(10)11/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 7-(diethylamino)-2,3-dihydroinden-1-one?
7-(diethylamino)-2,3-dihydroinden-1-one has a molecular weight of 203.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2,3-dihydroinden-1-one is sourced from PubChem (CID 112709045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).