1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one

C16H18N2O — CID 115379070

IUPAC1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one
SMILESCN(C)c1cccc(-n2ccc3c2CCCC3=O)c1
InChIInChI=1S/C16H18N2O/c1-17(2)12-5-3-6-13(11-12)18-10-9-14-15(18)7-4-8-16(14)19/h3,5-6,9-11H,4,7-8H2,1-2H3
InChIKeyUVABCSVGBYELJC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.06
Rot. Bonds2

About 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one

1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 115379070) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one
PubChem CID115379070
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one
SMILESCN(C)c1cccc(-n2ccc3c2CCCC3=O)c1
InChIInChI=1S/C16H18N2O/c1-17(2)12-5-3-6-13(11-12)18-10-9-14-15(18)7-4-8-16(14)19/h3,5-6,9-11H,4,7-8H2,1-2H3
InChIKeyUVABCSVGBYELJC-UHFFFAOYSA-N
XLogP3.06
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-6,7-dihydro-5H-indol-4-one
CID 83023680
1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
CID 141033006
1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
CID 107801156
1-(2,4,5-trichlorophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466580
1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one
CID 107603133
1-[3-(dimethylamino)phenyl]-5-phenylpyridin-2-one
CID 46853307
1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466404
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032974
methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate
CID 114916536
3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline
CID 115378503
1-[3-(dimethylamino)phenyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 115379081

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one (CID 115379070) is 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one is CN(C)c1cccc(-n2ccc3c2CCCC3=O)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is UVABCSVGBYELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17(2)12-5-3-6-13(11-12)18-10-9-14-15(18)7-4-8-16(14)19/h3,5-6,9-11H,4,7-8H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one?
1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 254.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 115379070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).