1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one

C17H17N3O — CID 5050002

IUPAC1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one
SMILESCC(C)CN1C(=O)/C(=N\c2cccnc2)c2ccccc21
InChIInChI=1S/C17H17N3O/c1-12(2)11-20-15-8-4-3-7-14(15)16(17(20)21)19-13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3/b19-16-
InChIKeyRUESADIMKKATPO-MNDPQUGUSA-N
MW279.34 g/mol
LogP3.20
Rot. Bonds3

About 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one

1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one (PubChem CID 5050002) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one
PubChem CID5050002
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one
SMILESCC(C)CN1C(=O)/C(=N\c2cccnc2)c2ccccc21
InChIInChI=1S/C17H17N3O/c1-12(2)11-20-15-8-4-3-7-14(15)16(17(20)21)19-13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3/b19-16-
InChIKeyRUESADIMKKATPO-MNDPQUGUSA-N
XLogP3.20
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one (CID 5050002) is 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one is CC(C)CN1C(=O)/C(=N\c2cccnc2)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one?
The InChIKey is RUESADIMKKATPO-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(2)11-20-15-8-4-3-7-14(15)16(17(20)21)19-13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3/b19-16-.
What are the key properties of 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one?
1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-pyridin-3-yliminoindol-2-one is sourced from PubChem (CID 5050002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).