1-benzyl-3-morpholin-4-yliminoindol-2-one

C19H19N3O2 — CID 74851956

IUPAC1-benzyl-3-morpholin-4-yliminoindol-2-one
SMILESO=C1C(=NN2CCOCC2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-19-18(20-21-10-12-24-13-11-21)16-8-4-5-9-17(16)22(19)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyUFLAQKDZSRKPKH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.27
Rot. Bonds3

About 1-benzyl-3-morpholin-4-yliminoindol-2-one

1-benzyl-3-morpholin-4-yliminoindol-2-one (PubChem CID 74851956) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-benzyl-3-morpholin-4-yliminoindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-morpholin-4-yliminoindol-2-one
PubChem CID74851956
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-benzyl-3-morpholin-4-yliminoindol-2-one
SMILESO=C1C(=NN2CCOCC2)c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-19-18(20-21-10-12-24-13-11-21)16-8-4-5-9-17(16)22(19)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyUFLAQKDZSRKPKH-UHFFFAOYSA-N
XLogP2.27
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-morpholin-4-yliminoindol-2-one?
The IUPAC name of 1-benzyl-3-morpholin-4-yliminoindol-2-one (CID 74851956) is 1-benzyl-3-morpholin-4-yliminoindol-2-one.
What is the SMILES notation for 1-benzyl-3-morpholin-4-yliminoindol-2-one?
The canonical SMILES for 1-benzyl-3-morpholin-4-yliminoindol-2-one is O=C1C(=NN2CCOCC2)c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-morpholin-4-yliminoindol-2-one?
The InChIKey is UFLAQKDZSRKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19-18(20-21-10-12-24-13-11-21)16-8-4-5-9-17(16)22(19)14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-3-morpholin-4-yliminoindol-2-one?
1-benzyl-3-morpholin-4-yliminoindol-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-morpholin-4-yliminoindol-2-one is sourced from PubChem (CID 74851956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).