4-amino-3-prop-2-enylindol-2-one

C11H10N2O — CID 67041036

IUPAC4-amino-3-prop-2-enylindol-2-one
SMILESC=CCC1=c2c(N)cccc2=NC1=O
InChIInChI=1S/C11H10N2O/c1-2-4-7-10-8(12)5-3-6-9(10)13-11(7)14/h2-3,5-6H,1,4,12H2
InChIKeyLBYKJPYTSMMFFD-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.16
Rot. Bonds2

About 4-amino-3-prop-2-enylindol-2-one

4-amino-3-prop-2-enylindol-2-one (PubChem CID 67041036) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-amino-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name4-amino-3-prop-2-enylindol-2-one
PubChem CID67041036
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-amino-3-prop-2-enylindol-2-one
SMILESC=CCC1=c2c(N)cccc2=NC1=O
InChIInChI=1S/C11H10N2O/c1-2-4-7-10-8(12)5-3-6-9(10)13-11(7)14/h2-3,5-6H,1,4,12H2
InChIKeyLBYKJPYTSMMFFD-UHFFFAOYSA-N
XLogP0.16
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-prop-2-enylindol-2-one?
The IUPAC name of 4-amino-3-prop-2-enylindol-2-one (CID 67041036) is 4-amino-3-prop-2-enylindol-2-one.
What is the SMILES notation for 4-amino-3-prop-2-enylindol-2-one?
The canonical SMILES for 4-amino-3-prop-2-enylindol-2-one is C=CCC1=c2c(N)cccc2=NC1=O.
What is the InChIKey of 4-amino-3-prop-2-enylindol-2-one?
The InChIKey is LBYKJPYTSMMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-4-7-10-8(12)5-3-6-9(10)13-11(7)14/h2-3,5-6H,1,4,12H2.
What are the key properties of 4-amino-3-prop-2-enylindol-2-one?
4-amino-3-prop-2-enylindol-2-one has a molecular weight of 186.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-prop-2-enylindol-2-one is sourced from PubChem (CID 67041036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).