5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one

C16H17N3O — CID 115126209

IUPAC5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one
SMILESCc1ccc(N)c(Nc2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C16H17N3O/c1-10-3-5-13(17)14(7-10)18-12-4-6-15-11(8-12)9-16(20)19(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeyXMGKTUKBTDPWAH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.84
Rot. Bonds2

About 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one

5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one (PubChem CID 115126209) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one
PubChem CID115126209
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one
SMILESCc1ccc(N)c(Nc2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C16H17N3O/c1-10-3-5-13(17)14(7-10)18-12-4-6-15-11(8-12)9-16(20)19(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeyXMGKTUKBTDPWAH-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
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-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one (CID 115126209) is 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one is Cc1ccc(N)c(Nc2ccc3c(c2)CC(=O)N3C)c1.
What is the InChIKey of 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one?
The InChIKey is XMGKTUKBTDPWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-3-5-13(17)14(7-10)18-12-4-6-15-11(8-12)9-16(20)19(15)2/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one?
5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methylanilino)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115126209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).