5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one

C19H21NO — CID 50966477

IUPAC5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one
SMILESCC(c1cccc(-c2ccc3c(c2)CCC3=O)c1)N(C)C
InChIInChI=1S/C19H21NO/c1-13(20(2)3)14-5-4-6-15(11-14)16-7-9-18-17(12-16)8-10-19(18)21/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyMZGLIUNKDSFPRP-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.11
Rot. Bonds3

About 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one

5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one (PubChem CID 50966477) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one
PubChem CID50966477
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one
SMILESCC(c1cccc(-c2ccc3c(c2)CCC3=O)c1)N(C)C
InChIInChI=1S/C19H21NO/c1-13(20(2)3)14-5-4-6-15(11-14)16-7-9-18-17(12-16)8-10-19(18)21/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyMZGLIUNKDSFPRP-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one (CID 50966477) is 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one is CC(c1cccc(-c2ccc3c(c2)CCC3=O)c1)N(C)C.
What is the InChIKey of 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one?
The InChIKey is MZGLIUNKDSFPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(20(2)3)14-5-4-6-15(11-14)16-7-9-18-17(12-16)8-10-19(18)21/h4-7,9,11-13H,8,10H2,1-3H3.
What are the key properties of 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one?
5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 50966477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).