3-prop-2-enylindol-2-one

C11H9NO — CID 67040938

IUPAC3-prop-2-enylindol-2-one
SMILESC=CCC1=c2ccccc2=NC1=O
InChIInChI=1S/C11H9NO/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13/h2-4,6-7H,1,5H2
InChIKeyKQNCBKBXYJFGKY-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.57
Rot. Bonds2

About 3-prop-2-enylindol-2-one

3-prop-2-enylindol-2-one (PubChem CID 67040938) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-prop-2-enylindol-2-one
PubChem CID67040938
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name3-prop-2-enylindol-2-one
SMILESC=CCC1=c2ccccc2=NC1=O
InChIInChI=1S/C11H9NO/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13/h2-4,6-7H,1,5H2
InChIKeyKQNCBKBXYJFGKY-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
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 3-prop-2-enylindol-2-one?
The IUPAC name of 3-prop-2-enylindol-2-one (CID 67040938) is 3-prop-2-enylindol-2-one.
What is the SMILES notation for 3-prop-2-enylindol-2-one?
The canonical SMILES for 3-prop-2-enylindol-2-one is C=CCC1=c2ccccc2=NC1=O.
What is the InChIKey of 3-prop-2-enylindol-2-one?
The InChIKey is KQNCBKBXYJFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13/h2-4,6-7H,1,5H2.
What are the key properties of 3-prop-2-enylindol-2-one?
3-prop-2-enylindol-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylindol-2-one is sourced from PubChem (CID 67040938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).