5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one

C15H15N3O — CID 115126207

IUPAC5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(N)c(Nc2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C15H15N3O/c1-9-2-4-12(16)14(6-9)17-11-3-5-13-10(7-11)8-15(19)18-13/h2-7,17H,8,16H2,1H3,(H,18,19)
InChIKeyGYLUFYSZARYECV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.82
Rot. Bonds2

About 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one

5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 115126207) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
PubChem CID115126207
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(N)c(Nc2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C15H15N3O/c1-9-2-4-12(16)14(6-9)17-11-3-5-13-10(7-11)8-15(19)18-13/h2-7,17H,8,16H2,1H3,(H,18,19)
InChIKeyGYLUFYSZARYECV-UHFFFAOYSA-N
XLogP2.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one (CID 115126207) is 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one is Cc1ccc(N)c(Nc2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is GYLUFYSZARYECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-2-4-12(16)14(6-9)17-11-3-5-13-10(7-11)8-15(19)18-13/h2-7,17H,8,16H2,1H3,(H,18,19).
What are the key properties of 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one?
5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 115126207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).