5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one

C15H15N3O — CID 117041354

IUPAC5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one
SMILESCNc1ccc(N2C(=O)Cc3cc(N)ccc32)cc1
InChIInChI=1S/C15H15N3O/c1-17-12-3-5-13(6-4-12)18-14-7-2-11(16)8-10(14)9-15(18)19/h2-8,17H,9,16H2,1H3
InChIKeyRCRCAYSLXANXJL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.53
Rot. Bonds2

About 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one

5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one (PubChem CID 117041354) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one
PubChem CID117041354
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one
SMILESCNc1ccc(N2C(=O)Cc3cc(N)ccc32)cc1
InChIInChI=1S/C15H15N3O/c1-17-12-3-5-13(6-4-12)18-14-7-2-11(16)8-10(14)9-15(18)19/h2-8,17H,9,16H2,1H3
InChIKeyRCRCAYSLXANXJL-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one?
The IUPAC name of 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one (CID 117041354) is 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one?
The canonical SMILES for 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one is CNc1ccc(N2C(=O)Cc3cc(N)ccc32)cc1.
What is the InChIKey of 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one?
The InChIKey is RCRCAYSLXANXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-17-12-3-5-13(6-4-12)18-14-7-2-11(16)8-10(14)9-15(18)19/h2-8,17H,9,16H2,1H3.
What are the key properties of 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one?
5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(methylamino)phenyl]-3H-indol-2-one is sourced from PubChem (CID 117041354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).