1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one

C20H24N2O — CID 141155579

IUPAC1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2cccc(NC3CC3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H24N2O/c1-13-12-22(17-10-20(2,3)11-18(23)19(13)17)16-6-4-5-15(9-16)21-14-7-8-14/h4-6,9,12,14,21H,7-8,10-11H2,1-3H3
InChIKeyAIUIGFBUSGJKOF-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.52
Rot. Bonds3

About 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one

1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 141155579) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID141155579
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cn(-c2cccc(NC3CC3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H24N2O/c1-13-12-22(17-10-20(2,3)11-18(23)19(13)17)16-6-4-5-15(9-16)21-14-7-8-14/h4-6,9,12,14,21H,7-8,10-11H2,1-3H3
InChIKeyAIUIGFBUSGJKOF-UHFFFAOYSA-N
XLogP4.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one
CID 141155540
[4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]cyclohexyl] acetate
CID 66952698
[4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]cyclohexyl] 2-aminoacetate
CID 11854436
2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952603
2-fluoro-6-[[(3S)-oxolan-3-yl]amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzonitrile
CID 68721233
2-tert-butyl-4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]piperidine-1-carboxylic acid
CID 130194267
1-amino-N-hydroxy-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)isoquinoline-4-carboxamide
CID 59213803
2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 58139456
[2-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]-2-hydroxyethyl] acetate
CID 141365885
8-tert-butyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 90654634
[(1S,2S)-2-[2-carbamoyl-3-fluoro-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]cyclohexyl] 2-aminoacetate
CID 59828668
[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate
CID 24936934

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one (CID 141155579) is 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cn(-c2cccc(NC3CC3)c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is AIUIGFBUSGJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-12-22(17-10-20(2,3)11-18(23)19(13)17)16-6-4-5-15(9-16)21-14-7-8-14/h4-6,9,12,14,21H,7-8,10-11H2,1-3H3.
What are the key properties of 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one?
1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 308.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 141155579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).