5-prop-2-enylindol-2-one

C11H9NO — CID 70380662

IUPAC5-prop-2-enylindol-2-one
SMILESC=CCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H9NO/c1-2-3-8-4-5-10-9(6-8)7-11(13)12-10/h2,4-7H,1,3H2
InChIKeyJBKNZYOLDVLGLL-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.36
Rot. Bonds2

About 5-prop-2-enylindol-2-one

5-prop-2-enylindol-2-one (PubChem CID 70380662) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-prop-2-enylindol-2-one.

Molecular Properties

Compound Name5-prop-2-enylindol-2-one
PubChem CID70380662
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name5-prop-2-enylindol-2-one
SMILESC=CCc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H9NO/c1-2-3-8-4-5-10-9(6-8)7-11(13)12-10/h2,4-7H,1,3H2
InChIKeyJBKNZYOLDVLGLL-UHFFFAOYSA-N
XLogP0.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylindol-2-one?
The IUPAC name of 5-prop-2-enylindol-2-one (CID 70380662) is 5-prop-2-enylindol-2-one.
What is the SMILES notation for 5-prop-2-enylindol-2-one?
The canonical SMILES for 5-prop-2-enylindol-2-one is C=CCc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-prop-2-enylindol-2-one?
The InChIKey is JBKNZYOLDVLGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-3-8-4-5-10-9(6-8)7-11(13)12-10/h2,4-7H,1,3H2.
What are the key properties of 5-prop-2-enylindol-2-one?
5-prop-2-enylindol-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylindol-2-one is sourced from PubChem (CID 70380662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).