3-[4-(diethylamino)phenyl]imino-1H-indol-2-one

C18H19N3O — CID 135437679

IUPAC3-[4-(diethylamino)phenyl]imino-1H-indol-2-one
SMILESCCN(CC)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)19-17-15-7-5-6-8-16(15)20-18(17)22/h5-12H,3-4H2,1-2H3,(H,19,20,22)
InChIKeyUCLYYKBUUUEVLT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.61
Rot. Bonds4

About 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one

3-[4-(diethylamino)phenyl]imino-1H-indol-2-one (PubChem CID 135437679) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-(diethylamino)phenyl]imino-1H-indol-2-one
PubChem CID135437679
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[4-(diethylamino)phenyl]imino-1H-indol-2-one
SMILESCCN(CC)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)19-17-15-7-5-6-8-16(15)20-18(17)22/h5-12H,3-4H2,1-2H3,(H,19,20,22)
InChIKeyUCLYYKBUUUEVLT-UHFFFAOYSA-N
XLogP3.61
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one (CID 135437679) is 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one is CCN(CC)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one?
The InChIKey is UCLYYKBUUUEVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)19-17-15-7-5-6-8-16(15)20-18(17)22/h5-12H,3-4H2,1-2H3,(H,19,20,22).
What are the key properties of 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one?
3-[4-(diethylamino)phenyl]imino-1H-indol-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135437679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).