3-propylimino-1H-indol-2-one

C11H12N2O — CID 135618153

IUPAC3-propylimino-1H-indol-2-one
SMILESCCC/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-7-12-10-8-5-3-4-6-9(8)13-11(10)14/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyYRWRUTNAZBMBMU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.84
Rot. Bonds2

About 3-propylimino-1H-indol-2-one

3-propylimino-1H-indol-2-one (PubChem CID 135618153) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-propylimino-1H-indol-2-one.

Molecular Properties

Compound Name3-propylimino-1H-indol-2-one
PubChem CID135618153
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-propylimino-1H-indol-2-one
SMILESCCC/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-7-12-10-8-5-3-4-6-9(8)13-11(10)14/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyYRWRUTNAZBMBMU-UHFFFAOYSA-N
XLogP1.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-propylimino-1H-indol-2-one?
The IUPAC name of 3-propylimino-1H-indol-2-one (CID 135618153) is 3-propylimino-1H-indol-2-one.
What is the SMILES notation for 3-propylimino-1H-indol-2-one?
The canonical SMILES for 3-propylimino-1H-indol-2-one is CCC/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 3-propylimino-1H-indol-2-one?
The InChIKey is YRWRUTNAZBMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-7-12-10-8-5-3-4-6-9(8)13-11(10)14/h3-6H,2,7H2,1H3,(H,12,13,14).
What are the key properties of 3-propylimino-1H-indol-2-one?
3-propylimino-1H-indol-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylimino-1H-indol-2-one is sourced from PubChem (CID 135618153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).