4-(1-aminoprop-2-enyl)indol-2-one

C11H10N2O — CID 68508269

IUPAC4-(1-aminoprop-2-enyl)indol-2-one
SMILESC=CC(N)c1cccc2c1=CC(=O)N=2
InChIInChI=1S/C11H10N2O/c1-2-9(12)7-4-3-5-10-8(7)6-11(14)13-10/h2-6,9H,1,12H2
InChIKeyVUSUXQCJUDTBIJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.19
Rot. Bonds2

About 4-(1-aminoprop-2-enyl)indol-2-one

4-(1-aminoprop-2-enyl)indol-2-one (PubChem CID 68508269) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(1-aminoprop-2-enyl)indol-2-one.

Molecular Properties

Compound Name4-(1-aminoprop-2-enyl)indol-2-one
PubChem CID68508269
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(1-aminoprop-2-enyl)indol-2-one
SMILESC=CC(N)c1cccc2c1=CC(=O)N=2
InChIInChI=1S/C11H10N2O/c1-2-9(12)7-4-3-5-10-8(7)6-11(14)13-10/h2-6,9H,1,12H2
InChIKeyVUSUXQCJUDTBIJ-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(1-aminoprop-2-enyl)indol-2-one?
The IUPAC name of 4-(1-aminoprop-2-enyl)indol-2-one (CID 68508269) is 4-(1-aminoprop-2-enyl)indol-2-one.
What is the SMILES notation for 4-(1-aminoprop-2-enyl)indol-2-one?
The canonical SMILES for 4-(1-aminoprop-2-enyl)indol-2-one is C=CC(N)c1cccc2c1=CC(=O)N=2.
What is the InChIKey of 4-(1-aminoprop-2-enyl)indol-2-one?
The InChIKey is VUSUXQCJUDTBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-9(12)7-4-3-5-10-8(7)6-11(14)13-10/h2-6,9H,1,12H2.
What are the key properties of 4-(1-aminoprop-2-enyl)indol-2-one?
4-(1-aminoprop-2-enyl)indol-2-one has a molecular weight of 186.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoprop-2-enyl)indol-2-one is sourced from PubChem (CID 68508269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).