5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one

C13H18N2O — CID 82235316

IUPAC5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCc1cc(C)c2c(c1)C(NC(C)C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-7(2)14-12-10-6-8(3)5-9(4)11(10)15-13(12)16/h5-7,12,14H,1-4H3,(H,15,16)
InChIKeyGNJWTZKREWVJMY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds2

About 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one

5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 82235316) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID82235316
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCc1cc(C)c2c(c1)C(NC(C)C)C(=O)N2
InChIInChI=1S/C13H18N2O/c1-7(2)14-12-10-6-8(3)5-9(4)11(10)15-13(12)16/h5-7,12,14H,1-4H3,(H,15,16)
InChIKeyGNJWTZKREWVJMY-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethylamino)-5,7-dimethyl-1,3-dihydroindol-2-one
CID 114994354
7-chloro-5-methyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 82234591
7-chloro-3-(ethylamino)-5-methyl-1,3-dihydroindol-2-one
CID 82235229
7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 82235334
5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 82236748
6,8-dimethyl-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82113959
3-[(7-fluoro-5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanenitrile
CID 114993646
3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one
CID 43912610
3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one
CID 43533291
5-chloro-7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 134996583
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172446
5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82396585

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one (CID 82235316) is 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one is Cc1cc(C)c2c(c1)C(NC(C)C)C(=O)N2.
What is the InChIKey of 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is GNJWTZKREWVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-7(2)14-12-10-6-8(3)5-9(4)11(10)15-13(12)16/h5-7,12,14H,1-4H3,(H,15,16).
What are the key properties of 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82235316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).